N-[(Z)-3-(butylamino)-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-methoxy-benzamide

Systemtic Name: N-[(Z)-3-(butylamino)-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-methoxy-benzamide Openeye Name: N-[(Z)-1-(butylcarbamoyl)-2-(3-nitrophenyl)vinyl]-4-methoxy-benzamide CAS Name: N-[(Z)-3-(butylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide IUPAC Name: N-[(Z)-3-(butylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide Traditional Name: N-[(Z)-1-(butylcarbamoyl)-2-(3-nitrophenyl)vinyl]-4-methoxy-benzamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCNC(=O)/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H23N3O5/c1-3-4-12-22-21(26)19(14-15-6-5-7-17(13-15)24(27)28)23-20(25)16-8-10-18(29-2)11-9-16/h5-11,13-14H,3-4,12H2,1-2H3,(H,22,26)(H,23,25)/b19-14-