[4-[methyl-(phenylmethyl)amino]-1,1-bis(oxidanylidene)thiolan-3-yl] 3-nitrobenzoate

Systemtic Name: [4-[methyl-(phenylmethyl)amino]-1,1-bis(oxidanylidene)thiolan-3-yl] 3-nitrobenzoate Openeye Name: [4-[benzyl(methyl)amino]-1,1-dioxo-thiolan-3-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[methyl-(phenylmethyl)amino]-1,1-dioxo-3-thiolanyl] ester IUPAC Name: [4-[benzyl(methyl)amino]-1,1-dioxothiolan-3-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[benzyl(methyl)amino]-1,1-diketo-thiolan-3-yl] ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2CS(=O)(=O)CC2OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C2CS(=O)(=O)CC2OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c1-20(11-14-6-3-2-4-7-14)17-12-28(25,26)13-18(17)27-19(22)15-8-5-9-16(10-15)21(23)24/h2-10,17-18H,11-13H2,1H3