[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-acrylic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C20H15BrN2O5 MolecularWeight: 443.2475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N)Br

InChI

InChI=1S/C20H15BrN2O5/c1-12-6-15(3-4-16(12)21)23-19(24)10-26-20(25)14(9-22)7-13-2-5-17-18(8-13)28-11-27-17/h2-8H,10-11H2,1H3,(H,23,24)