2-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4-nitrophenoxy)isoindole-1,3-dione

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4-nitrophenoxy)isoindole-1,3-dione Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4-nitrophenoxy)isoindoline-1,3-dione CAS Name: 2-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4-nitrophenoxy)isoindole-1,3-dione IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4-nitrophenoxy)isoindole-1,3-dione Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4-nitrophenoxy)isoindoline-1,3-quinone Formula: C27H15N3O5S MolecularWeight: 493.4901

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)OC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)OC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C27H15N3O5S/c31-26-21-14-13-20(35-19-11-9-18(10-12-19)30(33)34)15-22(21)27(32)29(26)17-7-5-16(6-8-17)25-28-23-3-1-2-4-24(23)36-25/h1-15H