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

Systemtic Name: N-[(Z)-3-(azepan-1-yl)-3-oxidanylidene-1-phenyl-prop-1-en-2-yl]-3-nitro-benzamide Openeye Name: N-[(Z)-1-(azepane-1-carbonyl)-2-phenyl-vinyl]-3-nitro-benzamide CAS Name: N-[(Z)-3-(1-azepanyl)-3-oxo-1-phenylprop-1-en-2-yl]-3-nitrobenzamide IUPAC Name: N-[(Z)-3-(azepan-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]-3-nitrobenzamide Traditional Name: N-[(Z)-1-(azepane-1-carbonyl)-2-phenyl-vinyl]-3-nitro-benzamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c26-21(18-11-8-12-19(16-18)25(28)29)23-20(15-17-9-4-3-5-10-17)22(27)24-13-6-1-2-7-14-24/h3-5,8-12,15-16H,1-2,6-7,13-14H2,(H,23,26)/b20-15-