[2-bromanyl-4-[(E)-2-cyano-3-[(3-iodanylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-methoxy-phenyl] ethanoate

Systemtic Name: [2-bromanyl-4-[(E)-2-cyano-3-[(3-iodanylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-methoxy-phenyl] ethanoate Openeye Name: [2-bromo-4-[(E)-2-cyano-3-(3-iodoanilino)-3-oxo-prop-1-enyl]-6-methoxy-phenyl] acetate CAS Name: acetic acid [2-bromo-4-[(E)-2-cyano-3-(3-iodoanilino)-3-oxoprop-1-enyl]-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-2-cyano-3-(3-iodoanilino)-3-oxoprop-1-enyl]-6-methoxyphenyl] acetate Traditional Name: acetic acid [2-bromo-4-[(E)-2-cyano-3-(3-iodoanilino)-3-keto-prop-1-enyl]-6-methoxy-phenyl] ester Formula: C19H14BrIN2O4 MolecularWeight: 541.13393

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NC2=CC(=CC=C2)I)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1Br)/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)I)OC

InChI

InChI=1S/C19H14BrIN2O4/c1-11(24)27-18-16(20)7-12(8-17(18)26-2)6-13(10-22)19(25)23-15-5-3-4-14(21)9-15/h3-9H,1-2H3,(H,23,25)/b13-6+