(4-nitrophenyl) 4-(3-ethoxy-3-oxidanylidene-propanoyl)-1,4-diazepane-1-carboxylate

Systemtic Name: (4-nitrophenyl) 4-(3-ethoxy-3-oxidanylidene-propanoyl)-1,4-diazepane-1-carboxylate Openeye Name: (4-nitrophenyl) 4-(3-ethoxy-3-oxo-propanoyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(3-ethoxy-1,3-dioxopropyl)-1,4-diazepane-1-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-(3-ethoxy-3-oxopropanoyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(3-ethoxy-3-keto-propanoyl)-1,4-diazepane-1-carboxylic acid (4-nitrophenyl) ester Formula: C17H21N3O7 MolecularWeight: 379.36454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N1CCCN(CC1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC(=O)N1CCCN(CC1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O7/c1-2-26-16(22)12-15(21)18-8-3-9-19(11-10-18)17(23)27-14-6-4-13(5-7-14)20(24)25/h4-7H,2-3,8-12H2,1H3