ethyl 4-[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitro-phenyl)acryloyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H28N4O8 MolecularWeight: 512.51182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(=CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)/C(=C\C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H28N4O8/c1-4-37-25(32)28-12-10-27(11-13-28)24(31)19(26-23(30)17-8-6-5-7-9-17)14-18-15-21(35-2)22(36-3)16-20(18)29(33)34/h5-9,14-16H,4,10-13H2,1-3H3,(H,26,30)/b19-14+