N-(2,5-dimethylphenyl)-2-nitro-benzamide hydrate

Systemtic Name: N-(2,5-dimethylphenyl)-2-nitro-benzamide hydrate Openeye Name: N-(2,5-dimethylphenyl)-2-nitro-benzamide hydrate CAS Name: N-(2,5-dimethylphenyl)-2-nitrobenzamide hydrate IUPAC Name: N-(2,5-dimethylphenyl)-2-nitrobenzamide hydrate Traditional Name: N-(2,5-dimethylphenyl)-2-nitro-benzamide hydrate Formula: C15H16N2O4 MolecularWeight: 288.29854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O3.H2O/c1-10-7-8-11(2)13(9-10)16-15(18)12-5-3-4-6-14(12)17(19)20;/h3-9H,1-2H3,(H,16,18);1H2