methyl 3-nitro-1-oxidanidyl-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-4-carboxylate

Systemtic Name: methyl 3-nitro-1-oxidanidyl-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-4-carboxylate Openeye Name: methyl 3-nitro-1-oxido-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-4-carboxylate CAS Name: 3-nitro-1-oxido-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-4-carboxylic acid methyl ester IUPAC Name: methyl 3-nitro-1-oxido-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-4-carboxylate Traditional Name: 3-nitro-1-oxido-2-phenyl-1-pyrindan-1-ium-4-carboxylic acid methyl ester Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCCC2=[N+](C(=C1[N+](=O)[O-])C3=CC=CC=C3)[O-]

Isomeric SMILES

COC(=O)C1=C2CCCC2=[N+](C(=C1[N+](=O)[O-])C3=CC=CC=C3)[O-]

InChI

InChI=1S/C16H14N2O5/c1-23-16(19)13-11-8-5-9-12(11)17(20)14(15(13)18(21)22)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3