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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)OC(C)C

InChI

InChI=1S/C21H22N2O7/c1-10(2)30-21(25)18-11(3)22-13-5-4-6-15(24)20(13)19(18)12-7-16-17(29-9-28-16)8-14(12)23(26)27/h7-8,10,19,22H,4-6,9H2,1-3H3