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

Systemtic Name: 4-[[5-nitro-6-[(3-nitrophenyl)amino]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-nitro-6-(3-nitroanilino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amino]benzoic acid Formula: C17H12N6O6 MolecularWeight: 396.31378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N6O6/c24-17(25)10-4-6-11(7-5-10)20-15-14(23(28)29)16(19-9-18-15)21-12-2-1-3-13(8-12)22(26)27/h1-9H,(H,24,25)(H2,18,19,20,21)