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

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

Isomeric SMILES

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

InChI

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