(5-nitro-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: (5-nitro-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: (5-nitro-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid (5-nitro-1H-indol-2-yl)methyl ester IUPAC Name: (5-nitro-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid (5-nitro-1H-indol-2-yl)methyl ester Formula: C16H14N3O4+ MolecularWeight: 312.30006

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCC2=CC3=C(N2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCC2=CC3=C(N2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N3O4/c1-18-6-2-3-11(9-18)16(20)23-10-13-7-12-8-14(19(21)22)4-5-15(12)17-13/h2-9,17H,10H2,1H3/q+1