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

Systemtic Name: N-[4-chloranyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitro-benzamide Formula: C22H16ClN3O4 MolecularWeight: 421.83314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])Cl

InChI

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