methyl 4-(2-aminocarbonylpyrrolidin-1-yl)sulfonyl-3-nitro-benzoate

Systemtic Name: methyl 4-(2-aminocarbonylpyrrolidin-1-yl)sulfonyl-3-nitro-benzoate Openeye Name: methyl 4-(2-carbamoylpyrrolidin-1-yl)sulfonyl-3-nitro-benzoate CAS Name: 4-[(2-carbamoyl-1-pyrrolidinyl)sulfonyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(2-carbamoylpyrrolidin-1-yl)sulfonyl-3-nitrobenzoate Traditional Name: 4-(2-carbamoylpyrrolidino)sulfonyl-3-nitro-benzoic acid methyl ester Formula: C13H15N3O7S MolecularWeight: 357.3391

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O7S/c1-23-13(18)8-4-5-11(10(7-8)16(19)20)24(21,22)15-6-2-3-9(15)12(14)17/h4-5,7,9H,2-3,6H2,1H3,(H2,14,17)