ethyl 1-(ethoxymethyl)-2-methyl-4-(3-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 1-(ethoxymethyl)-2-methyl-4-(3-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 1-(ethoxymethyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate CAS Name: 1-(ethoxymethyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(ethoxymethyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: 1-(ethoxymethyl)-5-keto-2-methyl-4-(3-nitrophenyl)-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=C(C(C2=C1CCCC2=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCOCN1C(=C(C(C2=C1CCCC2=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C22H26N2O6/c1-4-29-13-23-14(3)19(22(26)30-5-2)20(21-17(23)10-7-11-18(21)25)15-8-6-9-16(12-15)24(27)28/h6,8-9,12,20H,4-5,7,10-11,13H2,1-3H3