methyl 4-[(E)-3-[(4-bromanyl-2-chloranyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[(4-bromanyl-2-chloranyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(4-bromo-2-chloro-anilino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(4-bromo-2-chloroanilino)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(4-bromo-2-chloroanilino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(4-bromo-2-chloro-anilino)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C17H13BrClNO3 MolecularWeight: 394.64702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)NC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C17H13BrClNO3/c1-23-17(22)12-5-2-11(3-6-12)4-9-16(21)20-15-8-7-13(18)10-14(15)19/h2-10H,1H3,(H,20,21)/b9-4+