[4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]phenyl] 4-nitrobenzoate

Systemtic Name: [4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]phenyl] 4-nitrobenzoate Openeye Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] ester IUPAC Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]phenyl] ester Formula: C21H15N3O6S MolecularWeight: 437.4253

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CN(C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H15N3O6S/c1-23(20-18-4-2-3-5-19(18)31(28,29)22-20)15-10-12-17(13-11-15)30-21(25)14-6-8-16(9-7-14)24(26)27/h2-13H,1H3