2-ethoxy-4-(2-methylidene-5-oxidanylidene-3-propan-2-yloxycarbonyl-1,3,4,6,7,8-hexahydroquinolin-4-yl)-6-nitro-phenolate

Systemtic Name: 2-ethoxy-4-(2-methylidene-5-oxidanylidene-3-propan-2-yloxycarbonyl-1,3,4,6,7,8-hexahydroquinolin-4-yl)-6-nitro-phenolate Openeye Name: 2-ethoxy-4-(3-isopropoxycarbonyl-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinolin-4-yl)-6-nitro-phenolate CAS Name: 2-ethoxy-4-[2-methylene-5-oxo-3-[oxo(propan-2-yloxy)methyl]-1,3,4,6,7,8-hexahydroquinolin-4-yl]-6-nitrophenolate IUPAC Name: 2-ethoxy-4-(2-methylidene-5-oxo-3-propan-2-yloxycarbonyl-1,3,4,6,7,8-hexahydroquinolin-4-yl)-6-nitrophenolate Traditional Name: 2-ethoxy-4-(3-isopropoxycarbonyl-5-keto-2-methylene-1,3,4,6,7,8-hexahydroquinolin-4-yl)-6-nitro-phenolate Formula: C22H25N2O7- MolecularWeight: 429.4431

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OC(C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OC(C)C

InChI

InChI=1S/C22H26N2O7/c1-5-30-17-10-13(9-15(21(17)26)24(28)29)19-18(22(27)31-11(2)3)12(4)23-14-7-6-8-16(25)20(14)19/h9-11,18-19,23,26H,4-8H2,1-3H3/p-1