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

Systemtic Name: N-[2-(3-chloranyl-4-methyl-phenyl)-1,3-benzoxazol-5-yl]-4-nitro-benzamide Openeye Name: N-[2-(3-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]-4-nitro-benzamide CAS Name: N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide IUPAC Name: N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide Traditional Name: N-[2-(3-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]-4-nitro-benzamide Formula: C21H14ClN3O4 MolecularWeight: 407.80656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Cl

InChI

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