methyl (2S)-2-[3-[(2,4-dinitrophenyl)amino]propanoylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[3-[(2,4-dinitrophenyl)amino]propanoylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[3-(2,4-dinitroanilino)propanoylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[3-(2,4-dinitroanilino)-1-oxopropyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(2,4-dinitroanilino)propanoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[3-(2,4-dinitroanilino)propanoylamino]-3-methyl-butyric acid methyl ester Formula: C15H20N4O7 MolecularWeight: 368.3419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)CCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)CCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O7/c1-9(2)14(15(21)26-3)17-13(20)6-7-16-11-5-4-10(18(22)23)8-12(11)19(24)25/h4-5,8-9,14,16H,6-7H2,1-3H3,(H,17,20)/t14-/m0/s1