4-[[(2,5-dimethylphenyl)amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[(2,5-dimethylphenyl)amino]methyl]-3-nitro-benzamide Openeye Name: 4-[(2,5-dimethylanilino)methyl]-3-nitro-benzamide CAS Name: 4-[(2,5-dimethylanilino)methyl]-3-nitrobenzamide IUPAC Name: 4-[(2,5-dimethylanilino)methyl]-3-nitrobenzamide Traditional Name: 4-[(2,5-dimethylanilino)methyl]-3-nitro-benzamide Formula: C16H17N3O3 MolecularWeight: 299.32448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O3/c1-10-3-4-11(2)14(7-10)18-9-13-6-5-12(16(17)20)8-15(13)19(21)22/h3-8,18H,9H2,1-2H3,(H2,17,20)