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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H16ClN3O4/c1-13-2-5-15(11-19(13)26(28)29)22(27)24-17-8-9-20-18(12-17)25-21(30-20)10-14-3-6-16(23)7-4-14/h2-9,11-12H,10H2,1H3,(H,24,27)