[1-[(2-methyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] pyrrolidine-1-carbodithioate

Systemtic Name: [1-[(2-methyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] pyrrolidine-1-carbodithioate Openeye Name: [1-methyl-2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [1-(2-methyl-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-3-nitroanilino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-keto-1-methyl-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C15H19N3O3S2 MolecularWeight: 353.45966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3S2/c1-10-12(6-5-7-13(10)18(20)21)16-14(19)11(2)23-15(22)17-8-3-4-9-17/h5-7,11H,3-4,8-9H2,1-2H3,(H,16,19)