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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]-3-nitro-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-3-nitro-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-3-nitrobenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-3-nitrobenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-3-nitro-benzamide Formula: C20H12BrN3O3S MolecularWeight: 454.29658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12BrN3O3S/c21-13-8-9-16(22-19(25)12-4-3-5-14(10-12)24(26)27)15(11-13)20-23-17-6-1-2-7-18(17)28-20/h1-11H,(H,22,25)