[[4-[[2,4-bis(oxidanyl)phenyl]carbonyldiazenyl]phenyl]amino] 3,5-dinitrobenzoate

Systemtic Name: [[4-[[2,4-bis(oxidanyl)phenyl]carbonyldiazenyl]phenyl]amino] 3,5-dinitrobenzoate Openeye Name: [4-(2,4-dihydroxybenzoyl)azoanilino] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-[(2,4-dihydroxyphenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(2,4-dihydroxybenzoyl)diazenyl]anilino] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-(2,4-dihydroxybenzoyl)azoanilino] ester Formula: C20H13N5O9 MolecularWeight: 467.34532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])N=NC(=O)C3=C(C=C(C=C3)O)O

Isomeric SMILES

C1=CC(=CC=C1NOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])N=NC(=O)C3=C(C=C(C=C3)O)O

InChI

InChI=1S/C20H13N5O9/c26-16-5-6-17(18(27)10-16)19(28)22-21-12-1-3-13(4-2-12)23-34-20(29)11-7-14(24(30)31)9-15(8-11)25(32)33/h1-10,23,26-27H