2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-isoindoline-1,3-quinone Formula: C22H13N3O4S MolecularWeight: 415.42132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H13N3O4S/c1-12-5-10-16-18(11-12)30-20(23-16)13-6-8-14(9-7-13)24-21(26)15-3-2-4-17(25(28)29)19(15)22(24)27/h2-11H,1H3