dimethyl 2,3-diisothiocyanato-1,2,6-trimethyl-4-(3-methyl-2-nitro-phenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 2,3-diisothiocyanato-1,2,6-trimethyl-4-(3-methyl-2-nitro-phenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 2,3-diisothiocyanato-1,2,6-trimethyl-4-(3-methyl-2-nitro-phenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 2,3-diisothiocyanato-1,2,6-trimethyl-4-(3-methyl-2-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2,3-diisothiocyanato-1,2,6-trimethyl-4-(3-methyl-2-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 2,3-diisothiocyanato-1,2,6-trimethyl-4-(3-methyl-2-nitro-phenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C2C(=C(N(C(C2(C(=O)OC)N=C=S)(C)N=C=S)C)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C2C(=C(N(C(C2(C(=O)OC)N=C=S)(C)N=C=S)C)C)C(=O)OC

InChI

InChI=1S/C21H22N4O6S2/c1-12-8-7-9-14(17(12)25(28)29)16-15(18(26)30-5)13(2)24(4)20(3,22-10-32)21(16,23-11-33)19(27)31-6/h7-9,16H,1-6H3