2-methoxy-4-[(4R,7R)-2-methyl-5-oxidanylidene-3-propoxycarbonyl-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-propoxycarbonyl-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(4R,7R)-2-methyl-5-oxo-3-propoxycarbonyl-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(4R,7R)-2-methyl-5-oxo-3-[oxo(propoxy)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-propoxycarbonyl-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-6-nitrophenolate Traditional Name: 4-[(4R,7R)-5-keto-2-methyl-3-propoxycarbonyl-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:

CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C(=O)CC(C2)C4=CC=CS4)C

Isomeric SMILES

CCCOC(=O)C1=C(NC2=C([C@H]1C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C(=O)C[C@@H](C2)C4=CC=CS4)C

InChI

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