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

Systemtic Name: pentyl 3,4-dimethyl-6-(3-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: pentyl 3,4-dimethyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid pentyl ester IUPAC Name: pentyl 3,4-dimethyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3,4-dimethyl-6-(3-nitrophenyl)-1,6-dihydropyrimidine-5-carboxylic acid amyl ester Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CCCCCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C18H23N3O5/c1-4-5-6-10-26-17(22)15-12(2)20(3)18(23)19-16(15)13-8-7-9-14(11-13)21(24)25/h7-9,11,16H,4-6,10H2,1-3H3,(H,19,23)