N-[2-(1,3-benzothiazol-2-yl)-4,6-bis(chloranyl)phenyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4,6-bis(chloranyl)phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4,6-dichloro-phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4,6-dichlorophenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4,6-dichlorophenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4,6-dichloro-phenyl]-2-methyl-3-nitro-benzamide Formula: C21H13Cl2N3O3S MolecularWeight: 458.31722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(C=C(C=C2C3=NC4=CC=CC=C4S3)Cl)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(C=C(C=C2C3=NC4=CC=CC=C4S3)Cl)Cl

InChI

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