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

Systemtic Name: N-[(Z)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]-3-bromanyl-benzamide Openeye Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(3-nitrophenyl)vinyl]-3-bromo-benzamide CAS Name: N-[(Z)-3-(1-azepanyl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-3-bromobenzamide IUPAC Name: N-[(Z)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-3-bromobenzamide Traditional Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(3-nitrophenyl)vinyl]-3-bromo-benzamide Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H22BrN3O4/c23-18-9-6-8-17(15-18)21(27)24-20(22(28)25-11-3-1-2-4-12-25)14-16-7-5-10-19(13-16)26(29)30/h5-10,13-15H,1-4,11-12H2,(H,24,27)/b20-14-