[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-nitrophenyl)ethanoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-nitrophenyl)ethanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(2-nitrophenyl)acetate CAS Name: 2-(2-nitrophenyl)acetic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate Traditional Name: 2-(2-nitrophenyl)acetic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c1-12-8-14(27-11-19)6-7-15(12)20-17(22)10-26-18(23)9-13-4-2-3-5-16(13)21(24)25/h2-8H,9-10H2,1H3,(H,20,22)