methyl 3-nitro-1-oxidanidyl-2-phenyl-5,6,7,8-tetrahydroquinolin-1-ium-4-carboxylate

Systemtic Name: methyl 3-nitro-1-oxidanidyl-2-phenyl-5,6,7,8-tetrahydroquinolin-1-ium-4-carboxylate Openeye Name: methyl 3-nitro-1-oxido-2-phenyl-5,6,7,8-tetrahydroquinolin-1-ium-4-carboxylate CAS Name: 3-nitro-1-oxido-2-phenyl-5,6,7,8-tetrahydroquinolin-1-ium-4-carboxylic acid methyl ester IUPAC Name: methyl 3-nitro-1-oxido-2-phenyl-5,6,7,8-tetrahydroquinolin-1-ium-4-carboxylate Traditional Name: 3-nitro-1-oxido-2-phenyl-5,6,7,8-tetrahydroquinolin-1-ium-4-carboxylic acid methyl ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCCCC2=[N+](C(=C1[N+](=O)[O-])C3=CC=CC=C3)[O-]

Isomeric SMILES

COC(=O)C1=C2CCCCC2=[N+](C(=C1[N+](=O)[O-])C3=CC=CC=C3)[O-]

InChI

InChI=1S/C17H16N2O5/c1-24-17(20)14-12-9-5-6-10-13(12)18(21)15(16(14)19(22)23)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3