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

Systemtic Name: N-[5-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]-3-methyl-4-nitro-benzamide CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]-3-methyl-4-nitro-benzamide Formula: C21H14ClN3O3S MolecularWeight: 423.87216

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClN3O3S/c1-12-10-13(7-9-18(12)25(27)28)20(26)23-17-11-14(6-8-15(17)22)21-24-16-4-2-3-5-19(16)29-21/h2-11H,1H3,(H,23,26)