azepan-1-yl-(3-nitro-4-phenylazanyl-phenyl)methanone

Systemtic Name: azepan-1-yl-(3-nitro-4-phenylazanyl-phenyl)methanone Openeye Name: (4-anilino-3-nitro-phenyl)-(azepan-1-yl)methanone CAS Name: (4-anilino-3-nitrophenyl)-(1-azepanyl)methanone IUPAC Name: (4-anilino-3-nitrophenyl)-(azepan-1-yl)methanone Traditional Name: (4-anilino-3-nitro-phenyl)-(azepan-1-yl)methanone Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O3/c23-19(21-12-6-1-2-7-13-21)15-10-11-17(18(14-15)22(24)25)20-16-8-4-3-5-9-16/h3-5,8-11,14,20H,1-2,6-7,12-13H2