azanyl 2-azanyl-1-methanethioyl-3-(2-nitrophenyl)pyrrolidine-2-carboxylate

Systemtic Name: azanyl 2-azanyl-1-methanethioyl-3-(2-nitrophenyl)pyrrolidine-2-carboxylate Openeye Name: amino 2-amino-1-methanethioyl-3-(2-nitrophenyl)pyrrolidine-2-carboxylate CAS Name: 2-amino-1-methanethioyl-3-(2-nitrophenyl)-2-pyrrolidinecarboxylic acid amino ester IUPAC Name: amino 2-amino-1-methanethioyl-3-(2-nitrophenyl)pyrrolidine-2-carboxylate Traditional Name: 2-amino-3-(2-nitrophenyl)-1-thioformyl-pyrrolidine-2-carboxylic acid amino ester Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1C2=CC=CC=C2[N+](=O)[O-])(C(=O)ON)N)C=S

Isomeric SMILES

C1CN(C(C1C2=CC=CC=C2[N+](=O)[O-])(C(=O)ON)N)C=S

InChI

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