methyl 2-[4-[(4-nitrophenyl)amino]butanoylamino]ethanoate

Systemtic Name: methyl 2-[4-[(4-nitrophenyl)amino]butanoylamino]ethanoate Openeye Name: methyl 2-[4-(4-nitroanilino)butanoylamino]acetate CAS Name: 2-[[4-(4-nitroanilino)-1-oxobutyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-nitroanilino)butanoylamino]acetate Traditional Name: 2-[4-(4-nitroanilino)butanoylamino]acetic acid methyl ester Formula: C13H17N3O5 MolecularWeight: 295.29118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CCCNC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CNC(=O)CCCNC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c1-21-13(18)9-15-12(17)3-2-8-14-10-4-6-11(7-5-10)16(19)20/h4-7,14H,2-3,8-9H2,1H3,(H,15,17)