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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl 3-methyl-4-nitro-benzoate Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl ester IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCCCNC2=NS(=O)(=O)C3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCCCNC2=NS(=O)(=O)C3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6S/c1-12-11-13(7-8-15(12)21(23)24)18(22)27-10-4-9-19-17-14-5-2-3-6-16(14)28(25,26)20-17/h2-3,5-8,11H,4,9-10H2,1H3,(H,19,20)