dimethyl 4-(4-isothiocyanato-2-nitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(4-isothiocyanato-2-nitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(4-isothiocyanato-2-nitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(4-isothiocyanato-2-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(4-isothiocyanato-2-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(4-isothiocyanato-2-nitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C=C(C=C2)N=C=S)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C=C(C=C2)N=C=S)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H17N3O6S/c1-9-14(17(22)26-3)16(15(10(2)20-9)18(23)27-4)12-6-5-11(19-8-28)7-13(12)21(24)25/h5-7,16,20H,1-4H3