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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CCCCNC(=O)C(=CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2OC

InChI

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