2-methylpropyl 2,4-dimethyl-6-[3-methyl-4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]carbonyl-pyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 2,4-dimethyl-6-[3-methyl-4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]carbonyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 2,4-dimethyl-6-[3-methyl-4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]piperazine-1-carbonyl]pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-[[3-methyl-4-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]-oxomethyl]-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2,4-dimethyl-6-[3-methyl-4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]piperazine-1-carbonyl]pyrimidine-5-carboxylate Traditional Name: 2,4-dimethyl-6-[3-methyl-4-[(E)-3-(4-nitrophenyl)acryloyl]piperazine-1-carbonyl]pyrimidine-5-carboxylic acid isobutyl ester Formula: C26H31N5O6 MolecularWeight: 509.55424

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OCC(C)C

Isomeric SMILES

CC1CN(CCN1C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OCC(C)C

InChI

InChI=1S/C26H31N5O6/c1-16(2)15-37-26(34)23-18(4)27-19(5)28-24(23)25(33)29-12-13-30(17(3)14-29)22(32)11-8-20-6-9-21(10-7-20)31(35)36/h6-11,16-17H,12-15H2,1-5H3/b11-8+