[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C13H15N3O3S2 MolecularWeight: 325.4065

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=S)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O3S2/c17-12(9-21-13(20)15-6-1-2-7-15)14-10-4-3-5-11(8-10)16(18)19/h3-5,8H,1-2,6-7,9H2,(H,14,17)