4-[(5-bromanyl-3-chloranyl-2,4-dimethyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[(5-bromanyl-3-chloranyl-2,4-dimethyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-methyl-benzoic acid Openeye Name: 4-[(5-bromo-3-chloro-2,4-dimethyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-methyl-benzoic acid CAS Name: 4-[(5-bromo-3-chloro-2,4-dimethyl-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-methylbenzoic acid IUPAC Name: 4-[(5-bromo-3-chloro-2,4-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-methylbenzoic acid Traditional Name: 4-[(5-bromo-3-chloro-6-keto-2,4-dimethyl-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-methyl-benzoic acid Formula: C17H15BrClNO3 MolecularWeight: 396.6629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC=C2C(=C(C(=C(C2=O)Br)C)Cl)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC=C2C(=C(C(=C(C2=O)Br)C)Cl)C

InChI

InChI=1S/C17H15BrClNO3/c1-8-6-11(17(22)23)4-5-13(8)20-7-12-9(2)15(19)10(3)14(18)16(12)21/h4-7,20H,1-3H3,(H,22,23)