[3-[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenyl] 3,5-dinitrobenzoate

Systemtic Name: [3-[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [3-[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenyl] ester IUPAC Name: [3-[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [3-[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenyl] ester Formula: C28H18N4O6S MolecularWeight: 538.53072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)N=CC4=CC(=CC=C4)OC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)N=CC4=CC(=CC=C4)OC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C28H18N4O6S/c1-17-5-10-26-25(11-17)30-27(39-26)19-6-8-21(9-7-19)29-16-18-3-2-4-24(12-18)38-28(33)20-13-22(31(34)35)15-23(14-20)32(36)37/h2-16H,1H3