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

Systemtic Name: N-[2-chloranyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-nitro-benzamide Openeye Name: N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-nitro-benzamide CAS Name: N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide IUPAC Name: N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide Traditional Name: N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-nitro-benzamide Formula: C21H14ClN3O4 MolecularWeight: 407.80656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H14ClN3O4/c1-12-6-9-19-17(10-12)24-21(29-19)13-7-8-15(22)16(11-13)23-20(26)14-4-2-3-5-18(14)25(27)28/h2-11H,1H3,(H,23,26)