cyclopropylmethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: cyclopropylmethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: cyclopropylmethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid cyclopropylmethyl ester IUPAC Name: cyclopropylmethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid cyclopropylmethyl ester Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC3CC3

Isomeric SMILES

CC1=C(C(N=C(N1)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC3CC3

InChI

InChI=1S/C17H19N3O4/c1-10-15(17(21)24-9-12-6-7-12)16(19-11(2)18-10)13-4-3-5-14(8-13)20(22)23/h3-5,8,12,16H,6-7,9H2,1-2H3,(H,18,19)