2-isocyanato-1-(2-methyl-3-nitro-phenyl)sulfonyl-pyrrolidine

Systemtic Name: 2-isocyanato-1-(2-methyl-3-nitro-phenyl)sulfonyl-pyrrolidine Openeye Name: 2-isocyanato-1-(2-methyl-3-nitro-phenyl)sulfonyl-pyrrolidine CAS Name: 2-isocyanato-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidine IUPAC Name: 2-isocyanato-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidine Traditional Name: 2-isocyanato-1-(2-methyl-3-nitro-phenyl)sulfonyl-pyrrolidine Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)N2CCCC2N=C=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)N2CCCC2N=C=O)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5S/c1-9-10(15(17)18)4-2-5-11(9)21(19,20)14-7-3-6-12(14)13-8-16/h2,4-5,12H,3,6-7H2,1H3