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

Systemtic Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(3-nitrophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-keto-4-(3-nitrophenyl)-2-(4-piperonylpiperazino)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H27N5O7 MolecularWeight: 509.51118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O7/c1-2-35-24(32)21-22(17-4-3-5-18(13-17)30(33)34)26-25(27-23(21)31)29-10-8-28(9-11-29)14-16-6-7-19-20(12-16)37-15-36-19/h3-7,12-13,21-22H,2,8-11,14-15H2,1H3,(H,26,27,31)