2-ethylbutyl 6-methyl-4-(3-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-ethylbutyl 6-methyl-4-(3-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-ethylbutyl 4-(4-hydroxy-3-nitro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-ethylbutyl ester IUPAC Name: 2-ethylbutyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-hydroxy-3-nitro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-ethylbutyl ester Formula: C18H23N3O6 MolecularWeight: 377.39172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)COC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)O)[N+](=O)[O-])C

Isomeric SMILES

CCC(CC)COC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)O)[N+](=O)[O-])C

InChI

InChI=1S/C18H23N3O6/c1-4-11(5-2)9-27-17(23)15-10(3)19-18(24)20-16(15)12-6-7-14(22)13(8-12)21(25)26/h6-8,11,16,22H,4-5,9H2,1-3H3,(H2,19,20,24)