N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-methyl-3-nitro-benzamide

Systemtic Name: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-methyl-3-nitro-benzamide Openeye Name: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-methyl-3-nitro-benzamide CAS Name: N-[2-(2-benzo[e][1,3]benzoxazolyl)phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-methyl-3-nitrobenzamide Traditional Name: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-methyl-3-nitro-benzamide Formula: C25H17N3O4 MolecularWeight: 423.42018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2C3=NC4=C(O3)C=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2C3=NC4=C(O3)C=CC5=CC=CC=C54

InChI

InChI=1S/C25H17N3O4/c1-15-17(10-6-12-21(15)28(30)31)24(29)26-20-11-5-4-9-19(20)25-27-23-18-8-3-2-7-16(18)13-14-22(23)32-25/h2-14H,1H3,(H,26,29)