[4-(dimethoxymethyl)-7-methoxy-1-methyl-5-nitro-2H-quinolin-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-(dimethoxymethyl)-7-methoxy-1-methyl-5-nitro-2H-quinolin-6-yl] 4-methylbenzenesulfonate Openeye Name: [4-(dimethoxymethyl)-7-methoxy-1-methyl-5-nitro-2H-quinolin-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(dimethoxymethyl)-7-methoxy-1-methyl-5-nitro-2H-quinolin-6-yl] ester IUPAC Name: [4-(dimethoxymethyl)-7-methoxy-1-methyl-5-nitro-2H-quinolin-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(dimethoxymethyl)-7-methoxy-1-methyl-5-nitro-2H-quinolin-6-yl] ester Formula: C21H24N2O8S MolecularWeight: 464.48886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C(=C2[N+](=O)[O-])C(=CCN3C)C(OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C(=C2[N+](=O)[O-])C(=CCN3C)C(OC)OC)OC

InChI

InChI=1S/C21H24N2O8S/c1-13-6-8-14(9-7-13)32(26,27)31-20-17(28-3)12-16-18(19(20)23(24)25)15(10-11-22(16)2)21(29-4)30-5/h6-10,12,21H,11H2,1-5H3