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

Systemtic Name: N-[4-chloranyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-nitro-benzamide Openeye Name: N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-nitro-benzamide CAS Name: N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide IUPAC Name: N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide Traditional Name: N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-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=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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