N-[(Z)-3-(azepan-1-yl)-1-(4-chlorophenyl)-3-oxidanylidene-prop-1-en-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(Z)-3-(azepan-1-yl)-1-(4-chlorophenyl)-3-oxidanylidene-prop-1-en-2-yl]-3-nitro-benzamide Openeye Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(4-chlorophenyl)vinyl]-3-nitro-benzamide CAS Name: N-[(Z)-3-(1-azepanyl)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide IUPAC Name: N-[(Z)-3-(azepan-1-yl)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide Traditional Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(4-chlorophenyl)vinyl]-3-nitro-benzamide Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O4/c23-18-10-8-16(9-11-18)14-20(22(28)25-12-3-1-2-4-13-25)24-21(27)17-6-5-7-19(15-17)26(29)30/h5-11,14-15H,1-4,12-13H2,(H,24,27)/b20-14-