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

Systemtic Name: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitro-benzamide Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=CC(=CC=C3)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=CC(=CC=C3)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H19N3O4/c1-13-10-19-21(11-14(13)2)30-23(25-19)16-6-4-7-17(12-16)24-22(27)18-8-5-9-20(15(18)3)26(28)29/h4-12H,1-3H3,(H,24,27)