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

Systemtic Name: methyl (2S)-2-[(2,4-dinitrophenyl)amino]-3-methyl-pentanoate Openeye Name: methyl (2S)-2-(2,4-dinitroanilino)-3-methyl-pentanoate CAS Name: (2S)-2-(2,4-dinitroanilino)-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-(2,4-dinitroanilino)-3-methylpentanoate Traditional Name: (2S)-2-(2,4-dinitroanilino)-3-methyl-valeric acid methyl ester Formula: C13H17N3O6 MolecularWeight: 311.29058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O6/c1-4-8(2)12(13(17)22-3)14-10-6-5-9(15(18)19)7-11(10)16(20)21/h5-8,12,14H,4H2,1-3H3/t8?,12-/m0/s1