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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)benzyl]-4-ethoxy-3-nitro-benzamide Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O4S/c1-2-30-20-12-11-17(13-19(20)26(28)29)22(27)24-14-15-7-9-16(10-8-15)23-25-18-5-3-4-6-21(18)31-23/h3-13H,2,14H2,1H3,(H,24,27)