4-chloranyl-N-[1-[(3,5-dimethylphenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3,5-dinitro-benzamide

Systemtic Name: 4-chloranyl-N-[1-[(3,5-dimethylphenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3,5-dinitro-benzamide Openeye Name: 4-chloro-N-[1-[(3,5-dimethylphenyl)carbamoyl]-3-methyl-butyl]-3,5-dinitro-benzamide CAS Name: 4-chloro-N-[1-(3,5-dimethylanilino)-4-methyl-1-oxopentan-2-yl]-3,5-dinitrobenzamide IUPAC Name: 4-chloro-N-[1-(3,5-dimethylanilino)-4-methyl-1-oxopentan-2-yl]-3,5-dinitrobenzamide Traditional Name: 4-chloro-N-[1-[(3,5-dimethylphenyl)carbamoyl]-3-methyl-butyl]-3,5-dinitro-benzamide Formula: C21H23ClN4O6 MolecularWeight: 462.88352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O6/c1-11(2)5-16(21(28)23-15-7-12(3)6-13(4)8-15)24-20(27)14-9-17(25(29)30)19(22)18(10-14)26(31)32/h6-11,16H,5H2,1-4H3,(H,23,28)(H,24,27)