4-[(2,4-dinitrophenyl)amino]butanoyl benzoate

Systemtic Name: 4-[(2,4-dinitrophenyl)amino]butanoyl benzoate Openeye Name: 4-(2,4-dinitroanilino)butanoyl benzoate CAS Name: benzoic acid [4-(2,4-dinitroanilino)-1-oxobutyl] ester IUPAC Name: 4-(2,4-dinitroanilino)butanoyl benzoate Traditional Name: benzoic acid 4-(2,4-dinitroanilino)butanoyl ester Formula: C17H15N3O7 MolecularWeight: 373.3169

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O7/c21-16(27-17(22)12-5-2-1-3-6-12)7-4-10-18-14-9-8-13(19(23)24)11-15(14)20(25)26/h1-3,5-6,8-9,11,18H,4,7,10H2