ethyl 4-(3-ethoxy-2-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-ethoxy-2-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-ethoxy-4-hydroxy-2-nitro-phenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-ethoxy-4-hydroxy-2-nitro-phenyl)-2-keto-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H23N3O7 MolecularWeight: 393.39112

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=O)N1)C2=C(C(=C(C=C2)O)OCC)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCC1=C(C(NC(=O)N1)C2=C(C(=C(C=C2)O)OCC)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C18H23N3O7/c1-4-7-11-13(17(23)28-6-3)14(20-18(24)19-11)10-8-9-12(22)16(27-5-2)15(10)21(25)26/h8-9,14,22H,4-7H2,1-3H3,(H2,19,20,24)