(2-naphthalen-1-yl-2-oxidanylidene-ethyl) 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: (2-naphthalen-1-yl-2-oxidanylidene-ethyl) 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: [2-(1-naphthyl)-2-oxo-ethyl] 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid [2-(1-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-1-yl-2-oxoethyl) 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid [2-keto-2-(1-naphthyl)ethyl] ester Formula: C25H24N2O5 MolecularWeight: 432.46846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C25H24N2O5/c28-24(21-11-7-9-18-8-3-4-10-20(18)21)17-32-25(29)19-12-13-22(23(16-19)27(30)31)26-14-5-1-2-6-15-26/h3-4,7-13,16H,1-2,5-6,14-15,17H2