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

Systemtic Name: [4-[(3-methylphenyl)amino]-1,1-bis(oxidanylidene)thiolan-3-yl] 4-nitrobenzoate Openeye Name: [4-(3-methylanilino)-1,1-dioxo-thiolan-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-(3-methylanilino)-1,1-dioxo-3-thiolanyl] ester IUPAC Name: [4-(3-methylanilino)-1,1-dioxothiolan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1,1-diketo-4-(m-toluidino)thiolan-3-yl] ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2CS(=O)(=O)CC2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2CS(=O)(=O)CC2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6S/c1-12-3-2-4-14(9-12)19-16-10-27(24,25)11-17(16)26-18(21)13-5-7-15(8-6-13)20(22)23/h2-9,16-17,19H,10-11H2,1H3