ethyl 2-(4-ethoxycarbonylpiperazin-1-yl)-4-(3-nitrophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(4-ethoxycarbonylpiperazin-1-yl)-4-(3-nitrophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-ethoxycarbonylpiperazin-1-yl)-4-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-(4-ethoxycarbonyl-1-piperazinyl)-4-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-ethoxycarbonylpiperazin-1-yl)-4-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-(4-carbethoxypiperazino)-6-keto-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25N5O7 MolecularWeight: 447.4418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C(=O)OCC)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C(=O)OCC)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O7/c1-3-31-18(27)15-16(13-6-5-7-14(12-13)25(29)30)21-19(22-17(15)26)23-8-10-24(11-9-23)20(28)32-4-2/h5-7,12,15-16H,3-4,8-11H2,1-2H3,(H,21,22,26)