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

Systemtic Name: 4-chloranyl-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-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)Cl)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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