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

Systemtic Name: N-[3-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-benzamide Openeye Name: N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-benzamide CAS Name: N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide IUPAC Name: N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide Traditional Name: N-[3-(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=CC=C1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=C(O3)C=CC(=C4)Cl

InChI

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