2-[[2-[(4-nitrophenyl)amino]pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 2-[[2-[(4-nitrophenyl)amino]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[2-(4-nitroanilino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[2-(4-nitroanilino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[2-(4-nitroanilino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[2-(4-nitroanilino)pyrimidin-4-yl]amino]benzoic acid Formula: C17H13N5O4 MolecularWeight: 351.31622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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