methyl (2S)-2-[(2,4-dinitrophenyl)amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[(2,4-dinitrophenyl)amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-(2,4-dinitroanilino)-4-methyl-pentanoate CAS Name: (2S)-2-(2,4-dinitroanilino)-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-(2,4-dinitroanilino)-4-methylpentanoate Traditional Name: (2S)-2-(2,4-dinitroanilino)-4-methyl-valeric acid methyl ester Formula: C13H17N3O6 MolecularWeight: 311.29058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O6/c1-8(2)6-11(13(17)22-3)14-10-5-4-9(15(18)19)7-12(10)16(20)21/h4-5,7-8,11,14H,6H2,1-3H3/t11-/m0/s1