N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(4-ethylphenyl)amino]-3-oxidanylidene-prop-1-en-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(4-ethylphenyl)amino]-3-oxidanylidene-prop-1-en-2-yl]-3-nitro-benzamide Openeye Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-[(4-ethylphenyl)carbamoyl]vinyl]-3-nitro-benzamide CAS Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(4-ethylanilino)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide IUPAC Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(4-ethylanilino)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide Traditional Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-[(4-ethylphenyl)carbamoyl]vinyl]-3-nitro-benzamide Formula: C25H21N3O6 MolecularWeight: 459.45074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC3=C(C=C2)OCO3)/NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O6/c1-2-16-6-9-19(10-7-16)26-25(30)21(12-17-8-11-22-23(13-17)34-15-33-22)27-24(29)18-4-3-5-20(14-18)28(31)32/h3-14H,2,15H2,1H3,(H,26,30)(H,27,29)/b21-12+