ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-nitramido-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-nitramido-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-nitramido-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-6-methyl-2-nitramido-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-nitramido-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-methyl-2-nitramido-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C15H16N4O6 MolecularWeight: 348.31074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC3=C(C=C2)OCO3)N[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC3=C(C=C2)OCO3)N[N+](=O)[O-])C

InChI

InChI=1S/C15H16N4O6/c1-3-23-14(20)12-8(2)16-15(18-19(21)22)17-13(12)9-4-5-10-11(6-9)25-7-24-10/h4-6,13H,3,7H2,1-2H3,(H2,16,17,18)