ethyl 3-(2-cyclohexylimino-4-methyl-pyridin-1-yl)carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-(2-cyclohexylimino-4-methyl-pyridin-1-yl)carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-(2-cyclohexylimino-4-methyl-pyridine-1-carbonyl)-5-nitro-benzoate CAS Name: 3-[(2-cyclohexylimino-4-methyl-1-pyridinyl)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(2-cyclohexylimino-4-methylpyridine-1-carbonyl)-5-nitrobenzoate Traditional Name: 3-(2-cyclohexylimino-4-methyl-pyridine-1-carbonyl)-5-nitro-benzoic acid ethyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2C=CC(=CC2=NC3CCCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2C=CC(=CC2=NC3CCCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-3-30-22(27)17-12-16(13-19(14-17)25(28)29)21(26)24-10-9-15(2)11-20(24)23-18-7-5-4-6-8-18/h9-14,18H,3-8H2,1-2H3