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

Systemtic Name: N-[(Z)-3-(azepan-1-yl)-1-(furan-2-yl)-3-oxidanylidene-prop-1-en-2-yl]-3-nitro-benzamide Openeye Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(2-furyl)vinyl]-3-nitro-benzamide CAS Name: N-[(Z)-3-(1-azepanyl)-1-(2-furanyl)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide IUPAC Name: N-[(Z)-3-(azepan-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide Traditional Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(2-furyl)vinyl]-3-nitro-benzamide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=CC2=CC=CO2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)/C(=C/C2=CC=CO2)/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c24-19(15-7-5-8-16(13-15)23(26)27)21-18(14-17-9-6-12-28-17)20(25)22-10-3-1-2-4-11-22/h5-9,12-14H,1-4,10-11H2,(H,21,24)/b18-14-