N-(2,5-dimethylphenyl)-4-[(2-nitrophenyl)amino]butanamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-[(2-nitrophenyl)amino]butanamide Openeye Name: N-(2,5-dimethylphenyl)-4-(2-nitroanilino)butanamide CAS Name: N-(2,5-dimethylphenyl)-4-(2-nitroanilino)butanamide IUPAC Name: N-(2,5-dimethylphenyl)-4-(2-nitroanilino)butanamide Traditional Name: N-(2,5-dimethylphenyl)-4-(2-nitroanilino)butyramide Formula: C18H21N3O3 MolecularWeight: 327.37764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3/c1-13-9-10-14(2)16(12-13)20-18(22)8-5-11-19-15-6-3-4-7-17(15)21(23)24/h3-4,6-7,9-10,12,19H,5,8,11H2,1-2H3,(H,20,22)