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

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

Isomeric SMILES

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

InChI

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