5-benzamido-2-[(4-nitrophenyl)methoxycarbonyl]piperidine-1-carboxylate

Systemtic Name: 5-benzamido-2-[(4-nitrophenyl)methoxycarbonyl]piperidine-1-carboxylate Openeye Name: 5-benzamido-2-[(4-nitrophenyl)methoxycarbonyl]piperidine-1-carboxylate CAS Name: 5-benzamido-2-[(4-nitrophenyl)methoxy-oxomethyl]-1-piperidinecarboxylate IUPAC Name: 5-benzamido-2-[(4-nitrophenyl)methoxycarbonyl]piperidine-1-carboxylate Traditional Name: 5-benzamido-2-(4-nitrobenzyl)oxycarbonyl-piperidine-1-carboxylate Formula: C21H20N3O7- MolecularWeight: 426.3994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(CC1NC(=O)C2=CC=CC=C2)C(=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(N(CC1NC(=O)C2=CC=CC=C2)C(=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O7/c25-19(15-4-2-1-3-5-15)22-16-8-11-18(23(12-16)21(27)28)20(26)31-13-14-6-9-17(10-7-14)24(29)30/h1-7,9-10,16,18H,8,11-13H2,(H,22,25)(H,27,28)/p-1