[[4-[[2,4-bis(oxidanyl)phenyl]carbonyldiazenyl]phenyl]amino] 3-methylbenzoate

Systemtic Name: [[4-[[2,4-bis(oxidanyl)phenyl]carbonyldiazenyl]phenyl]amino] 3-methylbenzoate Openeye Name: [4-(2,4-dihydroxybenzoyl)azoanilino] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(2,4-dihydroxyphenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(2,4-dihydroxybenzoyl)diazenyl]anilino] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-(2,4-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=C(C=C(C=C3)O)O

Isomeric SMILES

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

InChI

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