[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-nitrophenoxy)ethanoate

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-nitrophenoxy)ethanoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC(=O)COC2=CC=CC=C2[N+](=O)[O-])C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC(=O)COC2=CC=CC=C2[N+](=O)[O-])C)SC#N

InChI

InChI=1S/C19H17N3O6S/c1-12-7-14(29-11-20)8-13(2)19(12)21-17(23)9-28-18(24)10-27-16-6-4-3-5-15(16)22(25)26/h3-8H,9-10H2,1-2H3,(H,21,23)