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

Systemtic Name: 2-methoxyethyl 2,4-dimethyl-6-[3-methyl-4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]carbonyl-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 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-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C25H29N5O7 MolecularWeight: 511.52706

Click to see the large picture

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)OCCOC

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)OCCOC

InChI

InChI=1S/C25H29N5O7/c1-16-15-28(11-12-29(16)21(31)10-7-19-5-8-20(9-6-19)30(34)35)24(32)23-22(17(2)26-18(3)27-23)25(33)37-14-13-36-4/h5-10,16H,11-15H2,1-4H3/b10-7+