2-cyanoethyl 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3-carboxylate

Systemtic Name: 2-cyanoethyl 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3-carboxylate Openeye Name: 2-cyanoethyl 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-(2-nitrophenyl)-3-pyridinecarboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3-carboxylate Traditional Name: 2,6-dimethyl-4-(2-nitrophenyl)nicotinic acid 2-cyanoethyl ester Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCC#N)C

Isomeric SMILES

CC1=NC(=C(C(=C1)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCC#N)C

InChI

InChI=1S/C17H15N3O4/c1-11-10-14(13-6-3-4-7-15(13)20(22)23)16(12(2)19-11)17(21)24-9-5-8-18/h3-4,6-7,10H,5,9H2,1-2H3