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

Systemtic Name: (2S)-2-[3-[(2,4-dinitrophenyl)amino]propanoylamino]-3-methyl-butanamide Openeye Name: (2S)-2-[3-(2,4-dinitroanilino)propanoylamino]-3-methyl-butanamide CAS Name: (2S)-2-[[3-(2,4-dinitroanilino)-1-oxopropyl]amino]-3-methylbutanamide IUPAC Name: (2S)-2-[3-(2,4-dinitroanilino)propanoylamino]-3-methylbutanamide Traditional Name: (2S)-2-[3-(2,4-dinitroanilino)propanoylamino]-3-methyl-butyramide Formula: C14H19N5O6 MolecularWeight: 353.33056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5O6/c1-8(2)13(14(15)21)17-12(20)5-6-16-10-4-3-9(18(22)23)7-11(10)19(24)25/h3-4,7-8,13,16H,5-6H2,1-2H3,(H2,15,21)(H,17,20)/t13-/m0/s1