[2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-nitrocyclopropane-1-carboxylate

Systemtic Name: [2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-nitrocyclopropane-1-carboxylate Openeye Name: [2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] 2-nitrocyclopropanecarboxylate CAS Name: 2-nitro-1-cyclopropanecarboxylic acid [2-[4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-nitrocyclopropane-1-carboxylate Traditional Name: 2-nitrocyclopropanecarboxylic acid [2-keto-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C16H19N3O8S MolecularWeight: 413.40236

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3CC3[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3CC3[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O8S/c20-15(10-27-16(21)13-9-14(13)19(22)23)17-11-1-3-12(4-2-11)28(24,25)18-5-7-26-8-6-18/h1-4,13-14H,5-10H2,(H,17,20)