N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-prop-1-en-2-yl]-3-bromanyl-benzamide

Systemtic Name: N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-prop-1-en-2-yl]-3-bromanyl-benzamide Openeye Name: N-[(Z)-1-[(4-acetylphenyl)carbamoyl]-2-(1,3-benzodioxol-5-yl)vinyl]-3-bromo-benzamide CAS Name: N-[(Z)-3-(4-acetylanilino)-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-3-bromobenzamide IUPAC Name: N-[(Z)-3-(4-acetylanilino)-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-3-bromobenzamide Traditional Name: N-[(Z)-1-[(4-acetylphenyl)carbamoyl]-2-(1,3-benzodioxol-5-yl)vinyl]-3-bromo-benzamide Formula: C25H19BrN2O5 MolecularWeight: 507.33276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H19BrN2O5/c1-15(29)17-6-8-20(9-7-17)27-25(31)21(28-24(30)18-3-2-4-19(26)13-18)11-16-5-10-22-23(12-16)33-14-32-22/h2-13H,14H2,1H3,(H,27,31)(H,28,30)/b21-11-