methyl 4-(3-nitro-6-oxidanylidene-piperidin-2-yl)benzoate

Systemtic Name: methyl 4-(3-nitro-6-oxidanylidene-piperidin-2-yl)benzoate Openeye Name: methyl 4-(3-nitro-6-oxo-2-piperidyl)benzoate CAS Name: 4-(3-nitro-6-oxo-2-piperidinyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-nitro-6-oxopiperidin-2-yl)benzoate Traditional Name: 4-(6-keto-3-nitro-2-piperidyl)benzoic acid methyl ester Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(CCC(=O)N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(CCC(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O5/c1-20-13(17)9-4-2-8(3-5-9)12-10(15(18)19)6-7-11(16)14-12/h2-5,10,12H,6-7H2,1H3,(H,14,16)