N-[2-chloranyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[2-chloranyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitro-benzamide Formula: C22H16ClN3O4 MolecularWeight: 421.83314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H16ClN3O4/c1-12-6-9-17-20(10-12)30-22(25-17)14-7-8-16(23)18(11-14)24-21(27)15-4-3-5-19(13(15)2)26(28)29/h3-11H,1-2H3,(H,24,27)