1,3-benzothiazol-2-ylmethyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C23H12N2O6S MolecularWeight: 444.41618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C23H12N2O6S/c26-21-12-5-1-2-6-13(12)22(27)19-14(21)9-10-15(20(19)25(29)30)23(28)31-11-18-24-16-7-3-4-8-17(16)32-18/h1-10H,11H2