ethyl 4-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[[(E)-3-(3-nitrophenyl)acryloyl]amino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C21H28N4O6 MolecularWeight: 432.47022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O6/c1-2-31-21(28)24-13-10-17(11-14-24)23-20(27)7-4-12-22-19(26)9-8-16-5-3-6-18(15-16)25(29)30/h3,5-6,8-9,15,17H,2,4,7,10-14H2,1H3,(H,22,26)(H,23,27)/b9-8+