4-(azepan-1-yl)-N-(4-nitrophenyl)-4-oxidanylidene-butanamide

Systemtic Name: 4-(azepan-1-yl)-N-(4-nitrophenyl)-4-oxidanylidene-butanamide Openeye Name: 4-(azepan-1-yl)-N-(4-nitrophenyl)-4-oxo-butanamide CAS Name: 4-(1-azepanyl)-N-(4-nitrophenyl)-4-oxobutanamide IUPAC Name: 4-(azepan-1-yl)-N-(4-nitrophenyl)-4-oxobutanamide Traditional Name: 4-(azepan-1-yl)-4-keto-N-(4-nitrophenyl)butyramide Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O4/c20-15(17-13-5-7-14(8-6-13)19(22)23)9-10-16(21)18-11-3-1-2-4-12-18/h5-8H,1-4,9-12H2,(H,17,20)