ethyl 2-chloranyl-6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-5-nitro-pyrimidine-4-carboxylate

Systemtic Name: ethyl 2-chloranyl-6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-5-nitro-pyrimidine-4-carboxylate Openeye Name: ethyl 2-chloro-6-[(2-ethoxy-2-oxo-ethyl)amino]-5-nitro-pyrimidine-4-carboxylate CAS Name: 2-chloro-6-[(2-ethoxy-2-oxoethyl)amino]-5-nitro-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-chloro-6-[(2-ethoxy-2-oxoethyl)amino]-5-nitropyrimidine-4-carboxylate Traditional Name: 2-chloro-6-[(2-ethoxy-2-keto-ethyl)amino]-5-nitro-pyrimidine-4-carboxylic acid ethyl ester Formula: C11H13ClN4O6 MolecularWeight: 332.69712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=NC(=NC(=C1[N+](=O)[O-])C(=O)OCC)Cl

Isomeric SMILES

CCOC(=O)CNC1=NC(=NC(=C1[N+](=O)[O-])C(=O)OCC)Cl

InChI

InChI=1S/C11H13ClN4O6/c1-3-21-6(17)5-13-9-8(16(19)20)7(10(18)22-4-2)14-11(12)15-9/h3-5H2,1-2H3,(H,13,14,15)