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

Systemtic Name: (6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) 4-morpholin-4-ylsulfonylbenzoate Openeye Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)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-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid (2-keto-6-methyl-3-nitro-1H-pyridin-4-yl) ester Formula: C17H17N3O8S MolecularWeight: 423.39718

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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)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H17N3O8S/c1-11-10-14(15(20(23)24)16(21)18-11)28-17(22)12-2-4-13(5-3-12)29(25,26)19-6-8-27-9-7-19/h2-5,10H,6-9H2,1H3,(H,18,21)