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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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