4-chloranyl-N-[2-[(2,5-dimethylphenyl)methoxy]-4-nitro-phenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[2-[(2,5-dimethylphenyl)methoxy]-4-nitro-phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-[(2,5-dimethylphenyl)methoxy]-4-nitro-phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-[(2,5-dimethylphenyl)methoxy]-4-nitrophenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-[(2,5-dimethylphenyl)methoxy]-4-nitrophenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-(2,5-dimethylbenzyl)oxy-4-nitro-phenyl]-3-nitro-benzamide Formula: C22H18ClN3O6 MolecularWeight: 455.84782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H18ClN3O6/c1-13-3-4-14(2)16(9-13)12-32-21-11-17(25(28)29)6-8-19(21)24-22(27)15-5-7-18(23)20(10-15)26(30)31/h3-11H,12H2,1-2H3,(H,24,27)