[[4-[[3,5-bis(oxidanyl)phenyl]carbonyldiazenyl]phenyl]amino] 3-methylbenzoate

Systemtic Name: [[4-[[3,5-bis(oxidanyl)phenyl]carbonyldiazenyl]phenyl]amino] 3-methylbenzoate Openeye Name: [4-(3,5-dihydroxybenzoyl)azoanilino] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(3,5-dihydroxyphenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(3,5-dihydroxybenzoyl)diazenyl]anilino] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-(3,5-dihydroxybenzoyl)azoanilino] ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)ONC2=CC=C(C=C2)N=NC(=O)C3=CC(=CC(=C3)O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)ONC2=CC=C(C=C2)N=NC(=O)C3=CC(=CC(=C3)O)O

InChI

InChI=1S/C21H17N3O5/c1-13-3-2-4-14(9-13)21(28)29-24-17-7-5-16(6-8-17)22-23-20(27)15-10-18(25)12-19(26)11-15/h2-12,24-26H,1H3