4-(7,7-dimethyl-2-methylidene-5-oxidanylidene-3-propan-2-yloxycarbonyl-3,4,6,8-tetrahydro-1H-quinolin-4-yl)-2-nitro-phenolate

Systemtic Name: 4-(7,7-dimethyl-2-methylidene-5-oxidanylidene-3-propan-2-yloxycarbonyl-3,4,6,8-tetrahydro-1H-quinolin-4-yl)-2-nitro-phenolate Openeye Name: 4-(3-isopropoxycarbonyl-7,7-dimethyl-2-methylene-5-oxo-3,4,6,8-tetrahydro-1H-quinolin-4-yl)-2-nitro-phenolate CAS Name: 4-[7,7-dimethyl-2-methylene-5-oxo-3-[oxo(propan-2-yloxy)methyl]-3,4,6,8-tetrahydro-1H-quinolin-4-yl]-2-nitrophenolate IUPAC Name: 4-(7,7-dimethyl-2-methylidene-5-oxo-3-propan-2-yloxycarbonyl-3,4,6,8-tetrahydro-1H-quinolin-4-yl)-2-nitrophenolate Traditional Name: 4-(3-isopropoxycarbonyl-5-keto-7,7-dimethyl-2-methylene-3,4,6,8-tetrahydro-1H-quinolin-4-yl)-2-nitro-phenolate Formula: C22H25N2O6- MolecularWeight: 413.4437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C(C2=C(CC(CC2=O)(C)C)NC1=C)C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1C(C2=C(CC(CC2=O)(C)C)NC1=C)C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O6/c1-11(2)30-21(27)18-12(3)23-14-9-22(4,5)10-17(26)20(14)19(18)13-6-7-16(25)15(8-13)24(28)29/h6-8,11,18-19,23,25H,3,9-10H2,1-2,4-5H3/p-1