4-[[6-[(2-chloranylpyridin-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-[(2-chloranylpyridin-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-[(2-chloro-3-pyridinyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-[(2-chloropyridin-3-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C16H11ClN6O4 MolecularWeight: 386.74934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN6O4/c17-13-11(2-1-7-18-13)22-15-12(23(26)27)14(19-8-20-15)21-10-5-3-9(4-6-10)16(24)25/h1-8H,(H,24,25)(H2,19,20,21,22)