N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-nitro-benzamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-nitro-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-2-nitro-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methyl]-2-nitrobenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-nitrobenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-2-nitro-benzamide Formula: C19H13N3O4S MolecularWeight: 379.38922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O4S/c23-18(13-5-1-3-7-15(13)22(24)25)20-11-12-9-10-16(26-12)19-21-14-6-2-4-8-17(14)27-19/h1-10H,11H2,(H,20,23)