ethyl 4-(3-ethoxy-4-oxidanyl-phenyl)-6-methyl-2-nitramido-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-ethoxy-4-oxidanyl-phenyl)-6-methyl-2-nitramido-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-ethoxy-4-hydroxy-phenyl)-6-methyl-2-nitramido-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-nitramido-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-nitramido-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-6-methyl-2-nitramido-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H20N4O6 MolecularWeight: 364.3532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(NC(=N2)N[N+](=O)[O-])C)C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(NC(=N2)N[N+](=O)[O-])C)C(=O)OCC)O

InChI

InChI=1S/C16H20N4O6/c1-4-25-12-8-10(6-7-11(12)21)14-13(15(22)26-5-2)9(3)17-16(18-14)19-20(23)24/h6-8,14,21H,4-5H2,1-3H3,(H2,17,18,19)