3-chloranyl-N-[1-(3-chlorophenyl)carbonyl-5-nitro-2,1-benzothiazol-3-ylidene]benzamide

Systemtic Name: 3-chloranyl-N-[1-(3-chlorophenyl)carbonyl-5-nitro-2,1-benzothiazol-3-ylidene]benzamide Openeye Name: 3-chloro-N-[1-(3-chlorobenzoyl)-5-nitro-2,1-benzothiazol-3-ylidene]benzamide CAS Name: 3-chloro-N-[1-[(3-chlorophenyl)-oxomethyl]-5-nitro-2,1-benzothiazol-3-ylidene]benzamide IUPAC Name: 3-chloro-N-[1-(3-chlorobenzoyl)-5-nitro-2,1-benzothiazol-3-ylidene]benzamide Traditional Name: 3-chloro-N-[1-(3-chlorobenzoyl)-5-nitro-2,1-benzothiazol-3-ylidene]benzamide Formula: C21H11Cl2N3O4S MolecularWeight: 472.30074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)N=C2C3=C(C=CC(=C3)[N+](=O)[O-])N(S2)C(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)N=C2C3=C(C=CC(=C3)[N+](=O)[O-])N(S2)C(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H11Cl2N3O4S/c22-14-5-1-3-12(9-14)19(27)24-20-17-11-16(26(29)30)7-8-18(17)25(31-20)21(28)13-4-2-6-15(23)10-13/h1-11H