[1-(azepan-1-yl)-2-(2-oxidanylidenepyridin-1-yl)ethenyl] 4-nitrobenzoate

Systemtic Name: [1-(azepan-1-yl)-2-(2-oxidanylidenepyridin-1-yl)ethenyl] 4-nitrobenzoate Openeye Name: [1-(azepan-1-yl)-2-(2-oxo-1-pyridyl)vinyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-(1-azepanyl)-2-(2-oxo-1-pyridinyl)ethenyl] ester IUPAC Name: [1-(azepan-1-yl)-2-(2-oxopyridin-1-yl)ethenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-(azepan-1-yl)-2-(2-keto-1-pyridyl)vinyl] ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=CN2C=CC=CC2=O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=CN2C=CC=CC2=O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c24-18-7-3-6-14-22(18)15-19(21-12-4-1-2-5-13-21)28-20(25)16-8-10-17(11-9-16)23(26)27/h3,6-11,14-15H,1-2,4-5,12-13H2