[2-bromanyl-4-[2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-ethoxy-phenyl] ethanoate

Systemtic Name: [2-bromanyl-4-[2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-ethoxy-phenyl] ethanoate Openeye Name: [2-bromo-4-[2-cyano-3-(4-methylanilino)-3-oxo-prop-1-enyl]-6-ethoxy-phenyl] acetate CAS Name: acetic acid [2-bromo-4-[2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]-6-ethoxyphenyl] ester IUPAC Name: [2-bromo-4-[2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]-6-ethoxyphenyl] acetate Traditional Name: acetic acid [2-bromo-4-[2-cyano-3-keto-3-(p-toluidino)prop-1-enyl]-6-ethoxy-phenyl] ester Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C)Br)OC(=O)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C)Br)OC(=O)C

InChI

InChI=1S/C21H19BrN2O4/c1-4-27-19-11-15(10-18(22)20(19)28-14(3)25)9-16(12-23)21(26)24-17-7-5-13(2)6-8-17/h5-11H,4H2,1-3H3,(H,24,26)