ethyl 2-(cyanoamino)-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(cyanoamino)-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 2-(cyanoamino)-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-(cyanoamino)-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyanoamino)-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-(cyanoamino)-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C15H15N5O4 MolecularWeight: 329.3107

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC=C(C=C2)[N+](=O)[O-])NC#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC=C(C=C2)[N+](=O)[O-])NC#N)C

InChI

InChI=1S/C15H15N5O4/c1-3-24-14(21)12-9(2)18-15(17-8-16)19-13(12)10-4-6-11(7-5-10)20(22)23/h4-7,13H,3H2,1-2H3,(H2,17,18,19)