4-(2-methylidene-5-oxidanylidene-3-propan-2-yloxycarbonyl-1,3,4,6,7,8-hexahydroquinolin-4-yl)-2-nitro-phenolate

Systemtic Name: 4-(2-methylidene-5-oxidanylidene-3-propan-2-yloxycarbonyl-1,3,4,6,7,8-hexahydroquinolin-4-yl)-2-nitro-phenolate Openeye Name: 4-(3-isopropoxycarbonyl-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinolin-4-yl)-2-nitro-phenolate CAS Name: 4-[2-methylene-5-oxo-3-[oxo(propan-2-yloxy)methyl]-1,3,4,6,7,8-hexahydroquinolin-4-yl]-2-nitrophenolate IUPAC Name: 4-(2-methylidene-5-oxo-3-propan-2-yloxycarbonyl-1,3,4,6,7,8-hexahydroquinolin-4-yl)-2-nitrophenolate Traditional Name: 4-(3-isopropoxycarbonyl-5-keto-2-methylene-1,3,4,6,7,8-hexahydroquinolin-4-yl)-2-nitro-phenolate Formula: C20H21N2O6- MolecularWeight: 385.39054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C(C2=C(CCCC2=O)NC1=C)C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1C(C2=C(CCCC2=O)NC1=C)C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-10(2)28-20(25)17-11(3)21-13-5-4-6-16(24)19(13)18(17)12-7-8-15(23)14(9-12)22(26)27/h7-10,17-18,21,23H,3-6H2,1-2H3/p-1