methyl 2-[4-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: methyl 2-[4-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-3-nitro-phenyl]carbonylbenzoate Openeye Name: methyl 2-[4-[(1,1-dioxothiolan-3-yl)amino]-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-[(1,1-dioxo-3-thiolanyl)amino]-3-nitrophenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(1,1-dioxothiolan-3-yl)amino]-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-[(1,1-diketothiolan-3-yl)amino]-3-nitro-benzoyl]benzoic acid methyl ester Formula: C19H18N2O7S MolecularWeight: 418.42042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)NC3CCS(=O)(=O)C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)NC3CCS(=O)(=O)C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O7S/c1-28-19(23)15-5-3-2-4-14(15)18(22)12-6-7-16(17(10-12)21(24)25)20-13-8-9-29(26,27)11-13/h2-7,10,13,20H,8-9,11H2,1H3