4-(cycloheptylamino)-N-(2,4-dimethylphenyl)-3-nitro-benzamide

Systemtic Name: 4-(cycloheptylamino)-N-(2,4-dimethylphenyl)-3-nitro-benzamide Openeye Name: 4-(cycloheptylamino)-N-(2,4-dimethylphenyl)-3-nitro-benzamide CAS Name: 4-(cycloheptylamino)-N-(2,4-dimethylphenyl)-3-nitrobenzamide IUPAC Name: 4-(cycloheptylamino)-N-(2,4-dimethylphenyl)-3-nitrobenzamide Traditional Name: 4-(cycloheptylamino)-N-(2,4-dimethylphenyl)-3-nitro-benzamide Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC3CCCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC3CCCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C22H27N3O3/c1-15-9-11-19(16(2)13-15)24-22(26)17-10-12-20(21(14-17)25(27)28)23-18-7-5-3-4-6-8-18/h9-14,18,23H,3-8H2,1-2H3,(H,24,26)