ethyl 1-hexyl-2-methyl-4-(2-nitrophenyl)-4H-pyridine-3-carboxylate

Systemtic Name: ethyl 1-hexyl-2-methyl-4-(2-nitrophenyl)-4H-pyridine-3-carboxylate Openeye Name: ethyl 1-hexyl-2-methyl-4-(2-nitrophenyl)-4H-pyridine-3-carboxylate CAS Name: 1-hexyl-2-methyl-4-(2-nitrophenyl)-4H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-hexyl-2-methyl-4-(2-nitrophenyl)-4H-pyridine-3-carboxylate Traditional Name: 1-hexyl-2-methyl-4-(2-nitrophenyl)-4H-pyridine-3-carboxylic acid ethyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=CC(C(=C1C)C(=O)OCC)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCCCN1C=CC(C(=C1C)C(=O)OCC)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H28N2O4/c1-4-6-7-10-14-22-15-13-18(20(16(22)3)21(24)27-5-2)17-11-8-9-12-19(17)23(25)26/h8-9,11-13,15,18H,4-7,10,14H2,1-3H3