methyl 1-[(5-nitroindol-1-yl)methyl]pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 1-[(5-nitroindol-1-yl)methyl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 1-[(5-nitroindol-1-yl)methyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[(5-nitro-1-indolyl)methyl]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(5-nitroindol-1-yl)methyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[(5-nitroindol-1-yl)methyl]pyridin-1-ium-3-carboxylic acid methyl ester Formula: C16H14N3O4+ MolecularWeight: 312.30006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C[N+](=CC=C1)CN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C[N+](=CC=C1)CN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]

InChI

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