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

Systemtic Name: 4-chloranyl-N-[1-[(3,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-3,5-dinitro-benzamide Openeye Name: 4-chloro-N-[2-(3,5-dimethylanilino)-1-methyl-2-oxo-ethyl]-3,5-dinitro-benzamide CAS Name: 4-chloro-N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-3,5-dinitrobenzamide IUPAC Name: 4-chloro-N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-3,5-dinitrobenzamide Traditional Name: 4-chloro-N-[2-(3,5-dimethylanilino)-2-keto-1-methyl-ethyl]-3,5-dinitro-benzamide Formula: C18H17ClN4O6 MolecularWeight: 420.80378

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H17ClN4O6/c1-9-4-10(2)6-13(5-9)21-17(24)11(3)20-18(25)12-7-14(22(26)27)16(19)15(8-12)23(28)29/h4-8,11H,1-3H3,(H,20,25)(H,21,24)