methyl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: methyl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: methyl 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid methyl ester Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O4/c1-10-4-3-7-15(9-10)12-6-5-11(14(17)20-2)8-13(12)16(18)19/h5-6,8,10H,3-4,7,9H2,1-2H3