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

Systemtic Name: 4-chloranyl-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide Formula: C21H14ClN3O5 MolecularWeight: 423.80596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClN3O5/c1-29-15-6-8-19-17(11-15)24-21(30-19)13-3-2-4-14(9-13)23-20(26)12-5-7-16(22)18(10-12)25(27)28/h2-11H,1H3,(H,23,26)