5-(4-nitrophenyl)carbonyl-7,8-dihydro-6H-pyrido[3,2-b]azepin-9-one

Systemtic Name: 5-(4-nitrophenyl)carbonyl-7,8-dihydro-6H-pyrido[3,2-b]azepin-9-one Openeye Name: 5-(4-nitrobenzoyl)-7,8-dihydro-6H-pyrido[3,2-b]azepin-9-one CAS Name: 5-[(4-nitrophenyl)-oxomethyl]-7,8-dihydro-6H-pyrido[3,2-b]azepin-9-one IUPAC Name: 5-(4-nitrobenzoyl)-7,8-dihydro-6H-pyrido[3,2-b]azepin-9-one Traditional Name: 5-(4-nitrobenzoyl)-7,8-dihydro-6H-pyrid[3,2-b]azepin-9-one Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2=C(C=CC=N2)N(C1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)C2=C(C=CC=N2)N(C1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4/c20-14-4-2-10-18(13-3-1-9-17-15(13)14)16(21)11-5-7-12(8-6-11)19(22)23/h1,3,5-9H,2,4,10H2