[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C14H17N3O3S2 MolecularWeight: 339.43308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC(=S)N2CCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC(=S)N2CCCC2

InChI

InChI=1S/C14H17N3O3S2/c1-10-8-11(17(19)20)4-5-12(10)15-13(18)9-22-14(21)16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,18)