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

Systemtic Name: 2-bromanyl-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitro-benzamide Openeye Name: 2-bromo-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitro-benzamide CAS Name: 2-bromo-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide IUPAC Name: 2-bromo-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide Traditional Name: 2-bromo-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitro-benzamide Formula: C21H14BrN3O4 MolecularWeight: 452.25756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=CC=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=CC=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br

InChI

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