2-methoxy-4-(2-methylidene-5-oxidanylidene-3-propoxycarbonyl-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinolin-4-yl)-6-nitro-phenolate

Systemtic Name: 2-methoxy-4-(2-methylidene-5-oxidanylidene-3-propoxycarbonyl-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinolin-4-yl)-6-nitro-phenolate Openeye Name: 2-methoxy-4-[2-methylene-5-oxo-3-propoxycarbonyl-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinolin-4-yl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[2-methylene-5-oxo-3-[oxo(propoxy)methyl]-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinolin-4-yl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-(2-methylidene-5-oxo-3-propoxycarbonyl-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinolin-4-yl)-6-nitrophenolate Traditional Name: 4-[5-keto-2-methylene-3-propoxycarbonyl-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinolin-4-yl]-2-methoxy-6-nitro-phenolate Formula: C25H25N2O7S- MolecularWeight: 497.5402

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CS3)NC1=C)C4=CC(=C(C(=C4)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CS3)NC1=C)C4=CC(=C(C(=C4)OC)[O-])[N+](=O)[O-]

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/h5-6,8,10,12,14,21-22,26,29H,2,4,7,9,11H2,1,3H3/p-1