2-methoxy-4-[3-methoxycarbonyl-7-(2-methoxyphenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinolin-4-yl]-6-nitro-phenolate

Systemtic Name: 2-methoxy-4-[3-methoxycarbonyl-7-(2-methoxyphenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinolin-4-yl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[3-methoxycarbonyl-7-(2-methoxyphenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinolin-4-yl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[3-methoxycarbonyl-7-(2-methoxyphenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinolin-4-yl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[3-methoxycarbonyl-7-(2-methoxyphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinolin-4-yl]-6-nitrophenolate Traditional Name: 4-[3-carbomethoxy-5-keto-7-(2-methoxyphenyl)-2-methylene-1,3,4,6,7,8-hexahydroquinolin-4-yl]-2-methoxy-6-nitro-phenolate Formula: C26H25N2O8- MolecularWeight: 493.4853

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CC3=C(C(C(C(=C)N3)C(=O)OC)C4=CC(=C(C(=C4)OC)[O-])[N+](=O)[O-])C(=O)C2

Isomeric SMILES

COC1=CC=CC=C1C2CC3=C(C(C(C(=C)N3)C(=O)OC)C4=CC(=C(C(=C4)OC)[O-])[N+](=O)[O-])C(=O)C2

InChI

InChI=1S/C26H26N2O8/c1-13-22(26(31)36-4)23(15-10-18(28(32)33)25(30)21(12-15)35-3)24-17(27-13)9-14(11-19(24)29)16-7-5-6-8-20(16)34-2/h5-8,10,12,14,22-23,27,30H,1,9,11H2,2-4H3/p-1