N-[2-(cyclohexylcarbamoyl)phenyl]-2-methyl-3,5-dinitro-benzamide

Systemtic Name: N-[2-(cyclohexylcarbamoyl)phenyl]-2-methyl-3,5-dinitro-benzamide Openeye Name: N-[2-(cyclohexylcarbamoyl)phenyl]-2-methyl-3,5-dinitro-benzamide CAS Name: N-[2-[(cyclohexylamino)-oxomethyl]phenyl]-2-methyl-3,5-dinitrobenzamide IUPAC Name: N-[2-(cyclohexylcarbamoyl)phenyl]-2-methyl-3,5-dinitrobenzamide Traditional Name: N-[2-(cyclohexylcarbamoyl)phenyl]-2-methyl-3,5-dinitro-benzamide Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NC2=CC=CC=C2C(=O)NC3CCCCC3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NC2=CC=CC=C2C(=O)NC3CCCCC3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c1-13-17(11-15(24(28)29)12-19(13)25(30)31)21(27)23-18-10-6-5-9-16(18)20(26)22-14-7-3-2-4-8-14/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,22,26)(H,23,27)