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

Systemtic Name: 4-chloranyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-benzamide Formula: C21H14ClN3O3S MolecularWeight: 423.87216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

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