[1-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate

Systemtic Name: [1-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-1-methyl-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [1-[(1,1-dioxo-3-thiolanyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1,1-dioxothiolan-3-yl)-methylamino]-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-[(1,1-diketothiolan-3-yl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C15H18N2O7S MolecularWeight: 370.37762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCS(=O)(=O)C1)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N(C)C1CCS(=O)(=O)C1)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O7S/c1-10(14(18)16(2)11-7-8-25(22,23)9-11)24-15(19)12-5-3-4-6-13(12)17(20)21/h3-6,10-11H,7-9H2,1-2H3