2-nitro-4-(2,7,7-trimethyl-5-oxidanylidene-3-propan-2-yloxycarbonyl-1,4,4a,6-tetrahydroquinolin-4-yl)phenolate

Systemtic Name: 2-nitro-4-(2,7,7-trimethyl-5-oxidanylidene-3-propan-2-yloxycarbonyl-1,4,4a,6-tetrahydroquinolin-4-yl)phenolate Openeye Name: 4-(3-isopropoxycarbonyl-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinolin-4-yl)-2-nitro-phenolate CAS Name: 2-nitro-4-[2,7,7-trimethyl-5-oxo-3-[oxo(propan-2-yloxy)methyl]-1,4,4a,6-tetrahydroquinolin-4-yl]phenolate IUPAC Name: 2-nitro-4-(2,7,7-trimethyl-5-oxo-3-propan-2-yloxycarbonyl-1,4,4a,6-tetrahydroquinolin-4-yl)phenolate Traditional Name: 4-(3-isopropoxycarbonyl-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinolin-4-yl)-2-nitro-phenolate Formula: C22H25N2O6- MolecularWeight: 413.4437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C(=O)OC(C)C

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/h6-9,11,19-20,23,25H,10H2,1-5H3/p-1