N-[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]-3-methyl-4-nitro-benzamide CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]-3-methyl-4-nitro-benzamide Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O4S/c1-13-11-14(7-9-18(13)25(27)28)21(26)23-17-12-15(8-10-19(17)29-2)22-24-16-5-3-4-6-20(16)30-22/h3-12H,1-2H3,(H,23,26)