(6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) ester IUPAC Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (2-keto-6-methyl-3-nitro-1H-pyridin-4-yl) ester Formula: C17H17N3O7S MolecularWeight: 407.39778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H17N3O7S/c1-11-10-14(15(20(23)24)16(21)18-11)27-17(22)12-4-6-13(7-5-12)28(25,26)19-8-2-3-9-19/h4-7,10H,2-3,8-9H2,1H3,(H,18,21)