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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC=CC=C2NC3=NS(=O)(=O)C4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC=CC=C2NC3=NS(=O)(=O)C4=CC=CC=C43)[N+](=O)[O-]

InChI

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