[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: [2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: [2-(benzofuran-2-yl)-2-oxo-ethyl] 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid [2-(2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid [2-(benzofuran-2-yl)-2-keto-ethyl] ester Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O6/c26-20(22-14-16-7-3-4-8-21(16)31-22)15-30-23(27)17-9-10-18(19(13-17)25(28)29)24-11-5-1-2-6-12-24/h3-4,7-10,13-14H,1-2,5-6,11-12,15H2