AC1NGBSW

6-[[(3-methyl-4-nitrobenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Also Known As: AK-968/41026505|6-[(2-{4-nitro-3-methylbenzoyl}hydrazino)carbonyl]-3-cyclohexene-1-carboxylic acid|4-cyclohexene-1,2-dicarboxylic acid, mono[2-(3-methyl-4-nitrobenzoyl)hydrazide]|6-({2-[(3-methyl-4-nitrophenyl)carbonyl]hydrazinyl}carbonyl)cyclohex-3-ene-1-carboxylic acid|6-[[(3-methyl-4-nitro-benzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic Acid|6-[[(3-methyl-4-nitrobenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid|6-[[2-(3-METHYL-4-NITROBENZOYL)HYDRAZINO]CARBONYL]CYCLOHEX-3-ENE-1-CARBOXYLIC ACID|6-{N-[(3-methyl-4-nitrophenyl)carbonylamino]carbamoyl}cyclohex-3-enecarboxylic acid

Molecular Formula	C16H17N3O6
Molecular Weight	347.11172 g/mol
LogP	1.33122
Topological Polar Surface Area	138.64 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	347.11172
Monoisotopic Mass	347.11172
Heavy Atoms	25
Complexity	758.237

Chemical Identifiers

CAS Number	445258-07-1
SMILES	CC1=C(C=CC(=C1)C(=O)NNC(=O)C2CC=CCC2C(=O)O)[N+](=O)[O-]