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

Systemtic Name: 4-[[5-bromanyl-6-oxidanylidene-3-(phenylmethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]-2-oxidanyl-benzoic acid Openeye Name: 4-[(3-benzyl-5-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-hydroxy-benzoic acid CAS Name: 4-[[5-bromo-6-oxo-3-(phenylmethyl)-1-cyclohexa-2,4-dienylidene]methylamino]-2-hydroxybenzoic acid IUPAC Name: 4-[(3-benzyl-5-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-2-hydroxybenzoic acid Traditional Name: 4-[(3-benzyl-5-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-hydroxy-benzoic acid Formula: C21H16BrNO4 MolecularWeight: 426.26004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=CNC3=CC(=C(C=C3)C(=O)O)O)C(=O)C(=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=CNC3=CC(=C(C=C3)C(=O)O)O)C(=O)C(=C2)Br

InChI

InChI=1S/C21H16BrNO4/c22-18-10-14(8-13-4-2-1-3-5-13)9-15(20(18)25)12-23-16-6-7-17(21(26)27)19(24)11-16/h1-7,9-12,23-24H,8H2,(H,26,27)