2-(2-methyl-5-nitro-pyrrol-1-yl)ethyl pyridine-3-carboxylate

Systemtic Name: 2-(2-methyl-5-nitro-pyrrol-1-yl)ethyl pyridine-3-carboxylate Openeye Name: 2-(2-methyl-5-nitro-pyrrol-1-yl)ethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-(2-methyl-5-nitro-1-pyrrolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitropyrrol-1-yl)ethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-(2-methyl-5-nitro-pyrrol-1-yl)ethyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CCOC(=O)C2=CN=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(N1CCOC(=O)C2=CN=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c1-10-4-5-12(16(18)19)15(10)7-8-20-13(17)11-3-2-6-14-9-11/h2-6,9H,7-8H2,1H3