methyl N-(1H-benzimidazol-2-yl)carbamate; 3-nitro-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonic acid

Systemtic Name: methyl N-(1H-benzimidazol-2-yl)carbamate; 3-nitro-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonic acid Openeye Name: methyl N-(1H-benzimidazol-2-yl)carbamate; 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonic acid CAS Name: N-(1H-benzimidazol-2-yl)carbamic acid methyl ester; 3-nitro-4-(2-oxo-1-pyrrolidinyl)benzenesulfonic acid IUPAC Name: methyl N-(1H-benzimidazol-2-yl)carbamate; 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonic acid Traditional Name: N-(1H-benzimidazol-2-yl)carbamic acid methyl ester; 4-(2-ketopyrrolidino)-3-nitro-besylic acid Formula: C19H19N5O8S MolecularWeight: 477.44786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=CC=CC=C2N1.C1CC(=O)N(C1)C2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)NC1=NC2=CC=CC=C2N1.C1CC(=O)N(C1)C2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O6S.C9H9N3O2/c13-10-2-1-5-11(10)8-4-3-7(19(16,17)18)6-9(8)12(14)15;1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h3-4,6H,1-2,5H2,(H,16,17,18);2-5H,1H3,(H2,10,11,12,13)