2-isocyanato-1-(2-methyl-6-nitro-phenyl)sulfonyl-pyrrolidine

Systemtic Name: 2-isocyanato-1-(2-methyl-6-nitro-phenyl)sulfonyl-pyrrolidine Openeye Name: 2-isocyanato-1-(2-methyl-6-nitro-phenyl)sulfonyl-pyrrolidine CAS Name: 2-isocyanato-1-(2-methyl-6-nitrophenyl)sulfonylpyrrolidine IUPAC Name: 2-isocyanato-1-(2-methyl-6-nitrophenyl)sulfonylpyrrolidine Traditional Name: 2-isocyanato-1-(2-methyl-6-nitro-phenyl)sulfonyl-pyrrolidine Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC2N=C=O

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC2N=C=O

InChI

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