4-[(4R,7S)-3-methoxycarbonyl-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-nitro-phenolate

Systemtic Name: 4-[(4R,7S)-3-methoxycarbonyl-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4R,7S)-3-methoxycarbonyl-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4R,7S)-3-methoxycarbonyl-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4R,7S)-3-methoxycarbonyl-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4R,7S)-3-carbomethoxy-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-nitro-phenolate Formula: C22H19N2O6S- MolecularWeight: 439.46106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C=C4)[O-])[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C([C@@H](C2=C(N1)C[C@@H](CC2=O)C3=CC=CS3)C4=CC(=C(C=C4)[O-])[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H20N2O6S/c1-11-19(22(27)30-2)20(12-5-6-16(25)15(9-12)24(28)29)21-14(23-11)8-13(10-17(21)26)18-4-3-7-31-18/h3-7,9,13,20,23,25H,8,10H2,1-2H3/p-1/t13-,20-/m0/s1