2-[(4-nitrophenyl)methoxycarbonyl]-5-(prop-2-enoxycarbonylamino)piperidine-1-carboxylic acid

Systemtic Name: 2-[(4-nitrophenyl)methoxycarbonyl]-5-(prop-2-enoxycarbonylamino)piperidine-1-carboxylic acid Openeye Name: 5-(allyloxycarbonylamino)-2-[(4-nitrophenyl)methoxycarbonyl]piperidine-1-carboxylic acid CAS Name: 2-[(4-nitrophenyl)methoxy-oxomethyl]-5-[[oxo(prop-2-enoxy)methyl]amino]-1-piperidinecarboxylic acid IUPAC Name: 2-[(4-nitrophenyl)methoxycarbonyl]-5-(prop-2-enoxycarbonylamino)piperidine-1-carboxylic acid Traditional Name: 5-(allyloxycarbonylamino)-2-(4-nitrobenzyl)oxycarbonyl-piperidine-1-carboxylic acid Formula: C18H21N3O8 MolecularWeight: 407.37464

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)NC1CCC(N(C1)C(=O)O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCOC(=O)NC1CCC(N(C1)C(=O)O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O8/c1-2-9-28-17(23)19-13-5-8-15(20(10-13)18(24)25)16(22)29-11-12-3-6-14(7-4-12)21(26)27/h2-4,6-7,13,15H,1,5,8-11H2,(H,19,23)(H,24,25)