4-[(4R,7S)-3-butoxycarbonyl-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-nitro-phenolate

Systemtic Name: 4-[(4R,7S)-3-butoxycarbonyl-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4R,7S)-3-butoxycarbonyl-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4R,7S)-3-[butoxy(oxo)methyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4R,7S)-3-butoxycarbonyl-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4R,7S)-3-butoxycarbonyl-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-nitro-phenolate Formula: C27H27N2O6- MolecularWeight: 475.51308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CC=C3)N=C1C)C4=CC(=C(C=C4)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1[C@@H](C2=C(C[C@@H](CC2=O)C3=CC=CC=C3)N=C1C)C4=CC(=C(C=C4)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H28N2O6/c1-3-4-12-35-27(32)24-16(2)28-20-13-19(17-8-6-5-7-9-17)15-23(31)26(20)25(24)18-10-11-22(30)21(14-18)29(33)34/h5-11,14,19,24-25,30H,3-4,12-13,15H2,1-2H3/p-1/t19-,24?,25-/m0/s1