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

Systemtic Name: 2-methoxy-4-[(4R,7R)-2-methyl-5-oxidanylidene-3-propan-2-yloxycarbonyl-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-6-nitro-phenolate Openeye Name: 4-[(4R,7R)-3-isopropoxycarbonyl-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 2-methoxy-4-[(4R,7R)-2-methyl-5-oxo-3-[oxo(propan-2-yloxy)methyl]-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(4R,7R)-2-methyl-5-oxo-3-propan-2-yloxycarbonyl-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-6-nitrophenolate Traditional Name: 4-[(4R,7R)-3-isopropoxycarbonyl-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-methoxy-6-nitro-phenolate Formula: C25H25N2O7S- MolecularWeight: 497.5402

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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)OC)[O-])[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O7S/c1-12(2)34-25(30)21-13(3)26-16-8-14(20-6-5-7-35-20)10-18(28)23(16)22(21)15-9-17(27(31)32)24(29)19(11-15)33-4/h5-7,9,11-12,14,22,26,29H,8,10H2,1-4H3/p-1/t14-,22+/m1/s1