4-[[6-[(4-carboxyphenyl)amino]-3,5-dinitro-pyridin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[6-[(4-carboxyphenyl)amino]-3,5-dinitro-pyridin-2-yl]amino]benzoic acid Openeye Name: 4-[[6-(4-carboxyanilino)-3,5-dinitro-2-pyridyl]amino]benzoic acid CAS Name: 4-[[6-(4-carboxyanilino)-3,5-dinitro-2-pyridinyl]amino]benzoic acid IUPAC Name: 4-[[6-(4-carboxyanilino)-3,5-dinitropyridin-2-yl]amino]benzoic acid Traditional Name: 4-[[6-(4-carboxyanilino)-3,5-dinitro-2-pyridyl]amino]benzoic acid Formula: C19H13N5O8 MolecularWeight: 439.33522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=C(C=C(C(=N2)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=C(C=C(C(=N2)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H13N5O8/c25-18(26)10-1-5-12(6-2-10)20-16-14(23(29)30)9-15(24(31)32)17(22-16)21-13-7-3-11(4-8-13)19(27)28/h1-9H,(H,25,26)(H,27,28)(H2,20,21,22)