4-[(4R)-3-ethoxycarbonyl-2-ethyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-nitro-phenolate

Systemtic Name: 4-[(4R)-3-ethoxycarbonyl-2-ethyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4R)-3-ethoxycarbonyl-2-ethyl-5-oxo-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4R)-3-ethoxycarbonyl-2-ethyl-5-oxo-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4R)-3-ethoxycarbonyl-2-ethyl-5-oxo-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4R)-3-carbethoxy-2-ethyl-5-keto-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-nitro-phenolate Formula: C20H21N2O6- MolecularWeight: 385.39054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(C1C(=O)OCC)C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C(=O)CCC2

Isomeric SMILES

CCC1=NC2=C([C@H](C1C(=O)OCC)C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C(=O)CCC2

InChI

InChI=1S/C20H22N2O6/c1-3-12-19(20(25)28-4-2)17(18-13(21-12)6-5-7-16(18)24)11-8-9-15(23)14(10-11)22(26)27/h8-10,17,19,23H,3-7H2,1-2H3/p-1/t17-,19?/m1/s1