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

Systemtic Name: 2-[[(2S)-2-[(2,3-dinitrophenyl)amino]-3-methyl-pentanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-(2,3-dinitroanilino)-3-methyl-pentanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-(2,3-dinitroanilino)-3-methyl-1-oxopentyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-(2,3-dinitroanilino)-3-methylpentanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-(2,3-dinitroanilino)-3-methyl-pentanoyl]amino]acetic acid Formula: C14H18N4O7 MolecularWeight: 354.31532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O7/c1-3-8(2)12(14(21)15-7-11(19)20)16-9-5-4-6-10(17(22)23)13(9)18(24)25/h4-6,8,12,16H,3,7H2,1-2H3,(H,15,21)(H,19,20)/t8?,12-/m0/s1