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

Systemtic Name: 2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanoic acid Openeye Name: 2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]acetic acid CAS Name: 2-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]acetic acid IUPAC Name: 2-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]acetic acid Traditional Name: 2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]acetic acid Formula: C12H10ClN5O4 MolecularWeight: 323.6919

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCC(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCC(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H10ClN5O4/c13-7-1-3-8(4-2-7)16-12-15-5-9(18(21)22)11(17-12)14-6-10(19)20/h1-5H,6H2,(H,19,20)(H2,14,15,16,17)