(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid (2-oxo-3,4-dihydro-1H-quinolin-6-yl) ester IUPAC Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid (2-keto-3,4-dihydro-1H-quinolin-6-yl) ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)NC(=O)CC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)NC(=O)CC4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O5/c26-21-10-6-15-13-17(7-8-18(15)23-21)30-22(27)16-5-9-19(20(14-16)25(28)29)24-11-3-1-2-4-12-24/h5,7-9,13-14H,1-4,6,10-12H2,(H,23,26)