N-[(Z)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]ethanamide

Systemtic Name: N-[(Z)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]ethanamide Openeye Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(3-nitrophenyl)vinyl]acetamide CAS Name: N-[(Z)-3-(1-azepanyl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]acetamide IUPAC Name: N-[(Z)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]acetamide Traditional Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(3-nitrophenyl)vinyl]acetamide Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)N2CCCCCC2

Isomeric SMILES

CC(=O)N/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)N2CCCCCC2

InChI

InChI=1S/C17H21N3O4/c1-13(21)18-16(17(22)19-9-4-2-3-5-10-19)12-14-7-6-8-15(11-14)20(23)24/h6-8,11-12H,2-5,9-10H2,1H3,(H,18,21)/b16-12-