ethyl 2-ethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 2-ethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 2-ethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-ethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 2-ethyl-5-keto-4-(6-nitro-1,3-benzodioxol-5-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)OCC

Isomeric SMILES

CCC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)OCC

InChI

InChI=1S/C21H22N2O7/c1-3-12-20(21(25)28-4-2)18(19-13(22-12)6-5-7-15(19)24)11-8-16-17(30-10-29-16)9-14(11)23(26)27/h8-9,18,22H,3-7,10H2,1-2H3