2-[[(2S)-2-[(2,4-dinitrophenyl)amino]-3-methyl-butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-[(2,4-dinitrophenyl)amino]-3-methyl-butanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-(2,4-dinitroanilino)-3-methyl-butanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-(2,4-dinitroanilino)-3-methyl-1-oxobutyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-(2,4-dinitroanilino)-3-methylbutanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-(2,4-dinitroanilino)-3-methyl-butanoyl]amino]acetic acid Formula: C13H16N4O7 MolecularWeight: 340.28874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O7/c1-7(2)12(13(20)14-6-11(18)19)15-9-4-3-8(16(21)22)5-10(9)17(23)24/h3-5,7,12,15H,6H2,1-2H3,(H,14,20)(H,18,19)/t12-/m0/s1