2-(3H-1,3-benzothiazol-2-ylidene)-1,3-bis(4-nitrophenyl)propane-1,3-dione

Systemtic Name: 2-(3H-1,3-benzothiazol-2-ylidene)-1,3-bis(4-nitrophenyl)propane-1,3-dione Openeye Name: 2-(3H-1,3-benzothiazol-2-ylidene)-1,3-bis(4-nitrophenyl)propane-1,3-dione CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-1,3-bis(4-nitrophenyl)propane-1,3-dione IUPAC Name: 2-(3H-1,3-benzothiazol-2-ylidene)-1,3-bis(4-nitrophenyl)propane-1,3-dione Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-1,3-bis(4-nitrophenyl)propane-1,3-dione Formula: C22H13N3O6S MolecularWeight: 447.42012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)[N+](=O)[O-])S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)[N+](=O)[O-])S2

InChI

InChI=1S/C22H13N3O6S/c26-20(13-5-9-15(10-6-13)24(28)29)19(22-23-17-3-1-2-4-18(17)32-22)21(27)14-7-11-16(12-8-14)25(30)31/h1-12,23H