azanyl 2-methanethioyl-2-[(2-nitrophenyl)amino]pyrrolidine-1-carboxylate

Systemtic Name: azanyl 2-methanethioyl-2-[(2-nitrophenyl)amino]pyrrolidine-1-carboxylate Openeye Name: amino 2-methanethioyl-2-(2-nitroanilino)pyrrolidine-1-carboxylate CAS Name: 2-methanethioyl-2-(2-nitroanilino)-1-pyrrolidinecarboxylic acid amino ester IUPAC Name: amino 2-methanethioyl-2-(2-nitroanilino)pyrrolidine-1-carboxylate Traditional Name: 2-(2-nitroanilino)-2-thioformyl-pyrrolidine-1-carboxylic acid amino ester Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)ON)(C=S)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CC(N(C1)C(=O)ON)(C=S)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O4S/c13-20-11(17)15-7-3-6-12(15,8-21)14-9-4-1-2-5-10(9)16(18)19/h1-2,4-5,8,14H,3,6-7,13H2