4-[[6-[(4-carboxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-[(4-carboxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(4-carboxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(4-carboxyanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(4-carboxyanilino)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(4-carboxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C18H13N5O6 MolecularWeight: 395.32572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N5O6/c24-17(25)10-1-5-12(6-2-10)21-15-14(23(28)29)16(20-9-19-15)22-13-7-3-11(4-8-13)18(26)27/h1-9H,(H,24,25)(H,26,27)(H2,19,20,21,22)