(4R)-4-(3-ethoxy-2-nitro-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-N-(phenylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: (4R)-4-(3-ethoxy-2-nitro-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-N-(phenylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4R)-N-benzyl-4-(3-ethoxy-4-hydroxy-2-nitro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4R)-4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-N-(phenylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4R)-N-benzyl-4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4R)-N-benzyl-4-(3-ethoxy-4-hydroxy-2-nitro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1[N+](=O)[O-])C2C(=C(NC(=O)N2)C)C(=O)NCC3=CC=CC=C3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1[N+](=O)[O-])[C@@H]2C(=C(NC(=O)N2)C)C(=O)NCC3=CC=CC=C3)O

InChI

InChI=1S/C21H22N4O6/c1-3-31-19-15(26)10-9-14(18(19)25(29)30)17-16(12(2)23-21(28)24-17)20(27)22-11-13-7-5-4-6-8-13/h4-10,17,26H,3,11H2,1-2H3,(H,22,27)(H2,23,24,28)/t17-/m1/s1