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

Systemtic Name: [2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-(2-hydroxyethyl)carbamic acid Openeye Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-(2-hydroxyethyl)carbamic acid CAS Name: [2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-(2-hydroxyethyl)carbamic acid IUPAC Name: [2-(4-chloroanilino)-5-nitropyrimidin-4-yl]-(2-hydroxyethyl)carbamic acid Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-(2-hydroxyethyl)carbamic acid Formula: C13H12ClN5O5 MolecularWeight: 353.71788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN5O5/c14-8-1-3-9(4-2-8)16-12-15-7-10(19(23)24)11(17-12)18(5-6-20)13(21)22/h1-4,7,20H,5-6H2,(H,21,22)(H,15,16,17)