ethyl 6-[(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(5-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(5-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[(2-keto-5-nitro-1,3-benzoxazol-3-yl)methyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H18N4O7 MolecularWeight: 438.39022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H18N4O7/c1-2-31-19(26)17-14(22-20(27)23-18(17)12-6-4-3-5-7-12)11-24-15-10-13(25(29)30)8-9-16(15)32-21(24)28/h3-10,18H,2,11H2,1H3,(H2,22,23,27)