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

Systemtic Name: [2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-ethyl-carbamic acid Openeye Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-ethyl-carbamic acid CAS Name: [2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-ethylcarbamic acid IUPAC Name: [2-(4-chloroanilino)-5-nitropyrimidin-4-yl]-ethylcarbamic acid Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-ethyl-carbamic acid Formula: C13H12ClN5O4 MolecularWeight: 337.71848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN5O4/c1-2-18(13(20)21)11-10(19(22)23)7-15-12(17-11)16-9-5-3-8(14)4-6-9/h3-7H,2H2,1H3,(H,20,21)(H,15,16,17)