4-[(5-nitro-4-phenylazanyl-pyrimidin-2-yl)amino]benzoic acid

Systemtic Name: 4-[(5-nitro-4-phenylazanyl-pyrimidin-2-yl)amino]benzoic acid Openeye Name: 4-[(4-anilino-5-nitro-pyrimidin-2-yl)amino]benzoic acid CAS Name: 4-[(4-anilino-5-nitro-2-pyrimidinyl)amino]benzoic acid IUPAC Name: 4-[(4-anilino-5-nitropyrimidin-2-yl)amino]benzoic acid Traditional Name: 4-[(4-anilino-5-nitro-pyrimidin-2-yl)amino]benzoic acid Formula: C17H13N5O4 MolecularWeight: 351.31622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H13N5O4/c23-16(24)11-6-8-13(9-7-11)20-17-18-10-14(22(25)26)15(21-17)19-12-4-2-1-3-5-12/h1-10H,(H,23,24)(H2,18,19,20,21)