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

Systemtic Name: ethyl 2-(4-methanoylpiperazin-1-yl)-4-(3-nitrophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-formylpiperazin-1-yl)-4-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-(4-formyl-1-piperazinyl)-4-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-formylpiperazin-1-yl)-4-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-(4-formylpiperazino)-6-keto-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N5O6 MolecularWeight: 403.38924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O6/c1-2-29-17(26)14-15(12-4-3-5-13(10-12)23(27)28)19-18(20-16(14)25)22-8-6-21(11-24)7-9-22/h3-5,10-11,14-15H,2,6-9H2,1H3,(H,19,20,25)