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

Systemtic Name: ethyl 4-(3-nitrophenyl)-6-oxidanylidene-2-(4-phenylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-nitrophenyl)-6-oxo-2-(4-phenylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-nitrophenyl)-6-oxo-2-(4-phenyl-1-piperazinyl)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-nitrophenyl)-6-oxo-2-(4-phenylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-keto-4-(3-nitrophenyl)-2-(4-phenylpiperazino)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H25N5O5 MolecularWeight: 451.4751

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O5/c1-2-33-22(30)19-20(16-7-6-10-18(15-16)28(31)32)24-23(25-21(19)29)27-13-11-26(12-14-27)17-8-4-3-5-9-17/h3-10,15,19-20H,2,11-14H2,1H3,(H,24,25,29)