ethyl 6-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-(4-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-(4-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(4-nitrophenyl)-6-[(piperonylamino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22N4O7 MolecularWeight: 454.43268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])CNCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])CNCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N4O7/c1-2-31-21(27)19-16(11-23-10-13-3-8-17-18(9-13)33-12-32-17)24-22(28)25-20(19)14-4-6-15(7-5-14)26(29)30/h3-9,20,23H,2,10-12H2,1H3,(H2,24,25,28)