3-(2-acetamido-5-nitro-phenyl)prop-2-ynyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 3-(2-acetamido-5-nitro-phenyl)prop-2-ynyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 3-(2-acetamido-5-nitro-phenyl)prop-2-ynyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 3-(2-acetamido-5-nitrophenyl)prop-2-ynyl ester IUPAC Name: 3-(2-acetamido-5-nitrophenyl)prop-2-ynyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 3-(2-acetamido-5-nitro-phenyl)prop-2-ynyl ester Formula: C18H16N3O5+ MolecularWeight: 354.33674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#CCOC(=O)C2=C[N+](=CC=C2)C

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#CCOC(=O)C2=C[N+](=CC=C2)C

InChI

InChI=1S/C18H15N3O5/c1-13(22)19-17-8-7-16(21(24)25)11-14(17)6-4-10-26-18(23)15-5-3-9-20(2)12-15/h3,5,7-9,11-12H,10H2,1-2H3/p+1