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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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