2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-2-phenyl-ethanoic acid Openeye Name: 2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-2-phenyl-acetic acid CAS Name: 2-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]-2-phenylacetic acid Traditional Name: 2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-2-phenyl-acetic acid Formula: C18H14ClN5O4 MolecularWeight: 399.78786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN5O4/c19-12-6-8-13(9-7-12)21-18-20-10-14(24(27)28)16(23-18)22-15(17(25)26)11-4-2-1-3-5-11/h1-10,15H,(H,25,26)(H2,20,21,22,23)