(2-oxidanylidene-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 4-chloranyl-2-nitro-benzoate

Systemtic Name: (2-oxidanylidene-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 4-chloranyl-2-nitro-benzoate Openeye Name: (2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid (2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) ester IUPAC Name: (2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid (2-keto-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) ester Formula: C22H17ClN2O5 MolecularWeight: 424.83378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CC(=O)N2C3=CC=CC=C3)OC(=O)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=CC(=O)N2C3=CC=CC=C3)OC(=O)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H17ClN2O5/c23-14-10-11-17(19(12-14)25(28)29)22(27)30-20-13-21(26)24(15-6-2-1-3-7-15)18-9-5-4-8-16(18)20/h1-3,6-7,10-13H,4-5,8-9H2