methyl 4-[[5-bromanyl-3-[(2-chlorophenyl)methyl]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]benzoate

Systemtic Name: methyl 4-[[5-bromanyl-3-[(2-chlorophenyl)methyl]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]benzoate Openeye Name: methyl 4-[[5-bromo-3-[(2-chlorophenyl)methyl]-6-oxo-cyclohexa-2,4-dien-1-ylidene]methylamino]benzoate CAS Name: 4-[[5-bromo-3-[(2-chlorophenyl)methyl]-6-oxo-1-cyclohexa-2,4-dienylidene]methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-bromo-3-[(2-chlorophenyl)methyl]-6-oxocyclohexa-2,4-dien-1-ylidene]methylamino]benzoate Traditional Name: 4-[[5-bromo-3-(2-chlorobenzyl)-6-keto-cyclohexa-2,4-dien-1-ylidene]methylamino]benzoic acid methyl ester Formula: C22H17BrClNO3 MolecularWeight: 458.73228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC=C2C=C(C=C(C2=O)Br)CC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC=C2C=C(C=C(C2=O)Br)CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H17BrClNO3/c1-28-22(27)15-6-8-18(9-7-15)25-13-17-11-14(12-19(23)21(17)26)10-16-4-2-3-5-20(16)24/h2-9,11-13,25H,10H2,1H3