(phenylmethyl) N-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]carbamate

Systemtic Name: (phenylmethyl) N-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]carbamate Openeye Name: benzyl N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)carbamate CAS Name: N-[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)carbamate Traditional Name: N-(2-nitro-4-pyrrolidinosulfonyl-anilino)carbamic acid benzyl ester Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NNC(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NNC(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6S/c23-18(28-13-14-6-2-1-3-7-14)20-19-16-9-8-15(12-17(16)22(24)25)29(26,27)21-10-4-5-11-21/h1-3,6-9,12,19H,4-5,10-11,13H2,(H,20,23)