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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h5,7-10,18-19,21,23H,4,6H2,1-3H3/p-1