N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-benzamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-benzamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-benzamide Formula: C20H13N3O3S MolecularWeight: 375.40052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13N3O3S/c24-19(14-4-3-5-16(12-14)23(25)26)21-15-10-8-13(9-11-15)20-22-17-6-1-2-7-18(17)27-20/h1-12H,(H,21,24)