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

Systemtic Name: N-[5-(1,3-benzothiazol-2-yl)-2,4-bis(chloranyl)phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[5-(1,3-benzothiazol-2-yl)-2,4-dichloro-phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[5-(1,3-benzothiazol-2-yl)-2,4-dichloro-phenyl]-4-methyl-3-nitro-benzamide Formula: C21H13Cl2N3O3S MolecularWeight: 458.31722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13Cl2N3O3S/c1-11-6-7-12(8-18(11)26(28)29)20(27)24-17-9-13(14(22)10-15(17)23)21-25-16-4-2-3-5-19(16)30-21/h2-10H,1H3,(H,24,27)