(5-nitroindol-1-yl)methyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: (5-nitroindol-1-yl)methyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: (5-nitroindol-1-yl)methyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid (5-nitro-1-indolyl)methyl ester IUPAC Name: (5-nitroindol-1-yl)methyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid (5-nitroindol-1-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)OCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]

InChI

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