5-ethoxy-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one

CAS: 62903-64-4

Molecular Formula	`C12H13N3O4`
Molecular Weight	263.25 g/mol
LogP	1.2
Topological Polar Surface Area	87.7 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	263.0906
Heavy Atoms	19
Complexity	404.0

Chemical Identifiers

CAS Number	62903-64-4
SMILES	`CCOC1=NCC(=O)N(C2=C1C=C(C=C2)[N+](=O)[O-])C`
InChIKey	`JLKXQSZBUMAJNW-UHFFFAOYSA-N`

📖 Product Overview

5-ethoxy-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one (CAS: 62903-64-4) is a chemical compound with molecular formula C12H13N3O4 and molecular weight 263.25 g/mol. Its IUPAC systematic name is 5-ethoxy-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one. LogP 1.2 Topological Polar Surface Area 87.7 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 263.0906 Heavy Atoms 19 Complexity 404.0 InChI Key: JLKXQSZBUMAJNW-UHFFFAOYSA-N. SMILES: CCOC1=NCC(=O)N(C2=C1C=C(C=C2)[N+](=O)[O-])C.

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