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

Systemtic Name: N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitro-benzamide Formula: C21H14BrN3O4 MolecularWeight: 452.25756

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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)C4=CC(=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrN3O4/c1-12-5-6-13(10-18(12)25(27)28)20(26)23-16-7-8-19-17(11-16)24-21(29-19)14-3-2-4-15(22)9-14/h2-11H,1H3,(H,23,26)