ethyl 4-[4-[(3-methoxycarbonyl-5-nitro-phenyl)carbonylamino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(3-methoxycarbonyl-5-nitro-phenyl)carbonylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[(3-methoxycarbonyl-5-nitro-benzoyl)amino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[(3-methoxycarbonyl-5-nitrophenyl)-oxomethyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-methoxycarbonyl-5-nitrobenzoyl)amino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[(3-carbomethoxy-5-nitro-benzoyl)amino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C21H28N4O8 MolecularWeight: 464.46902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O8/c1-3-33-21(29)24-9-6-16(7-10-24)23-18(26)5-4-8-22-19(27)14-11-15(20(28)32-2)13-17(12-14)25(30)31/h11-13,16H,3-10H2,1-2H3,(H,22,27)(H,23,26)