N-(2-methylpropyl)-4-(4-nitrophenyl)carbonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-methylpropyl)-4-(4-nitrophenyl)carbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-isobutyl-4-(4-nitrobenzoyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-methylpropyl)-4-[(4-nitrophenyl)-oxomethyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-methylpropyl)-4-(4-nitrobenzoyl)-1,4-diazepane-1-carboxamide Traditional Name: N-isobutyl-4-(4-nitrobenzoyl)-1,4-diazepane-1-carboxamide Formula: C17H24N4O4 MolecularWeight: 348.39686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O4/c1-13(2)12-18-17(23)20-9-3-8-19(10-11-20)16(22)14-4-6-15(7-5-14)21(24)25/h4-7,13H,3,8-12H2,1-2H3,(H,18,23)