1-[4-(benzotriazol-1-ylsulfonyl)-2-nitro-phenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-(benzotriazol-1-ylsulfonyl)-2-nitro-phenyl]pyrrolidin-2-one Openeye Name: 1-[4-(benzotriazol-1-ylsulfonyl)-2-nitro-phenyl]pyrrolidin-2-one CAS Name: 1-[4-(1-benzotriazolylsulfonyl)-2-nitrophenyl]-2-pyrrolidinone IUPAC Name: 1-[4-(benzotriazol-1-ylsulfonyl)-2-nitrophenyl]pyrrolidin-2-one Traditional Name: 1-[4-(benzotriazol-1-ylsulfonyl)-2-nitro-phenyl]-2-pyrrolidone Formula: C16H13N5O5S MolecularWeight: 387.36992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C=C(C=C2)S(=O)(=O)N3C4=CC=CC=C4N=N3)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=C(C=C2)S(=O)(=O)N3C4=CC=CC=C4N=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O5S/c22-16-6-3-9-19(16)14-8-7-11(10-15(14)21(23)24)27(25,26)20-13-5-2-1-4-12(13)17-18-20/h1-2,4-5,7-8,10H,3,6,9H2