ethyl 3-(2-cyclohexyliminopyridin-1-yl)carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-(2-cyclohexyliminopyridin-1-yl)carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-(2-cyclohexyliminopyridine-1-carbonyl)-5-nitro-benzoate CAS Name: 3-[(2-cyclohexylimino-1-pyridinyl)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(2-cyclohexyliminopyridine-1-carbonyl)-5-nitrobenzoate Traditional Name: 3-(2-cyclohexyliminopyridine-1-carbonyl)-5-nitro-benzoic acid ethyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-2-29-21(26)16-12-15(13-18(14-16)24(27)28)20(25)23-11-7-6-10-19(23)22-17-8-4-3-5-9-17/h6-7,10-14,17H,2-5,8-9H2,1H3