N-(6-acetamido-1,3-benzothiazol-2-yl)-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-chloranyl-3-nitro-benzamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-chloro-3-nitro-benzamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-chloro-3-nitro-benzamide Formula: C16H11ClN4O4S MolecularWeight: 390.80094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN4O4S/c1-8(22)18-10-3-5-12-14(7-10)26-16(19-12)20-15(23)9-2-4-11(17)13(6-9)21(24)25/h2-7H,1H3,(H,18,22)(H,19,20,23)