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

Systemtic Name: ethyl 6-methyl-2-nitramido-4-(5-nitrofuran-2-yl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-2-nitramido-4-(5-nitro-2-furyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-methyl-2-nitramido-4-(5-nitro-2-furanyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-nitramido-4-(5-nitrofuran-2-yl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 6-methyl-2-nitramido-4-(5-nitro-2-furyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C12H13N5O7 MolecularWeight: 339.26092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC=C(O2)[N+](=O)[O-])N[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC=C(O2)[N+](=O)[O-])N[N+](=O)[O-])C

InChI

InChI=1S/C12H13N5O7/c1-3-23-11(18)9-6(2)13-12(15-17(21)22)14-10(9)7-4-5-8(24-7)16(19)20/h4-5,10H,3H2,1-2H3,(H2,13,14,15)