3-[[6-[(3-carboxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[6-[(3-carboxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 3-[[6-(3-carboxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 3-[[6-(3-carboxyanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[[6-(3-carboxyanilino)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 3-[[6-(3-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(=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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