1-(2-methyl-3-nitro-phenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: 1-(2-methyl-3-nitro-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: 1-(2-methyl-3-nitro-benzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methyl-3-nitrophenyl)-oxomethyl]-4-piperidinecarboxylate IUPAC Name: 1-(2-methyl-3-nitrobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(2-methyl-3-nitro-benzoyl)isonipecotate Formula: C14H15N2O5- MolecularWeight: 291.2793

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C14H16N2O5/c1-9-11(3-2-4-12(9)16(20)21)13(17)15-7-5-10(6-8-15)14(18)19/h2-4,10H,5-8H2,1H3,(H,18,19)/p-1