5-(4-chloranyl-3-methyl-phenyl)-2-(4-methoxy-3-nitro-phenyl)-1,3-benzoxazole

Systemtic Name: 5-(4-chloranyl-3-methyl-phenyl)-2-(4-methoxy-3-nitro-phenyl)-1,3-benzoxazole Openeye Name: 5-(4-chloro-3-methyl-phenyl)-2-(4-methoxy-3-nitro-phenyl)-1,3-benzoxazole CAS Name: 5-(4-chloro-3-methylphenyl)-2-(4-methoxy-3-nitrophenyl)-1,3-benzoxazole IUPAC Name: 5-(4-chloro-3-methylphenyl)-2-(4-methoxy-3-nitrophenyl)-1,3-benzoxazole Traditional Name: 5-(4-chloro-3-methyl-phenyl)-2-(4-methoxy-3-nitro-phenyl)-1,3-benzoxazole Formula: C21H15ClN2O4 MolecularWeight: 394.8078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN2O4/c1-12-9-13(3-6-16(12)22)14-4-7-19-17(10-14)23-21(28-19)15-5-8-20(27-2)18(11-15)24(25)26/h3-11H,1-2H3