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

Systemtic Name: 4-(3-ethoxycarbonyl-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinolin-4-yl)-2-nitro-phenolate Openeye Name: 4-(3-ethoxycarbonyl-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinolin-4-yl)-2-nitro-phenolate CAS Name: 4-(3-ethoxycarbonyl-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinolin-4-yl)-2-nitrophenolate IUPAC Name: 4-(3-ethoxycarbonyl-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinolin-4-yl)-2-nitrophenolate Traditional Name: 4-(3-carbethoxy-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinolin-4-yl)-2-nitro-phenolate Formula: C21H23N2O6- MolecularWeight: 399.41712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC(=C(C=C3)[O-])[N+](=O)[O-])(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC(=C(C=C3)[O-])[N+](=O)[O-])(C)C)C

InChI

InChI=1S/C21H24N2O6/c1-5-29-20(26)17-11(2)22-13-9-21(3,4)10-16(25)19(13)18(17)12-6-7-15(24)14(8-12)23(27)28/h6-9,18-19,22,24H,5,10H2,1-4H3/p-1