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

Systemtic Name: N-[(E)-3-(butylamino)-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-methyl-benzamide Openeye Name: N-[(E)-1-(butylcarbamoyl)-2-(3-nitrophenyl)vinyl]-4-methyl-benzamide CAS Name: N-[(E)-3-(butylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide IUPAC Name: N-[(E)-3-(butylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide Traditional Name: N-[(E)-1-(butylcarbamoyl)-2-(3-nitrophenyl)vinyl]-4-methyl-benzamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-3-4-12-22-21(26)19(14-16-6-5-7-18(13-16)24(27)28)23-20(25)17-10-8-15(2)9-11-17/h5-11,13-14H,3-4,12H2,1-2H3,(H,22,26)(H,23,25)/b19-14+