ethyl 4-[4-[3-[(2-nitrophenyl)amino]propanoylamino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[3-[(2-nitrophenyl)amino]propanoylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[3-(2-nitroanilino)propanoylamino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[3-(2-nitroanilino)-1-oxopropyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-(2-nitroanilino)propanoylamino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[3-(2-nitroanilino)propanoylamino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C21H31N5O6 MolecularWeight: 449.50074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)CCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)CCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H31N5O6/c1-2-32-21(29)25-14-10-16(11-15-25)24-20(28)8-5-12-23-19(27)9-13-22-17-6-3-4-7-18(17)26(30)31/h3-4,6-7,16,22H,2,5,8-15H2,1H3,(H,23,27)(H,24,28)