(2R)-2-[[(2S)-2-ethylhexyl]azaniumyl]-4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-[[(2S)-2-ethylhexyl]azaniumyl]-4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[[(2S)-2-ethylhexyl]ammonio]-4-(2-methyl-5-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-[[(2S)-2-ethylhexyl]ammonio]-4-(2-methyl-5-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[[(2S)-2-ethylhexyl]azaniumyl]-4-(2-methyl-5-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-[[(2S)-2-ethylhexyl]ammonio]-4-keto-4-(2-methyl-5-nitro-anilino)butyrate Formula: C19H29N3O5 MolecularWeight: 379.45066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]C(CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)C(=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)C[NH2+][C@H](CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)C(=O)[O-]

InChI

InChI=1S/C19H29N3O5/c1-4-6-7-14(5-2)12-20-17(19(24)25)11-18(23)21-16-10-15(22(26)27)9-8-13(16)3/h8-10,14,17,20H,4-7,11-12H2,1-3H3,(H,21,23)(H,24,25)/t14-,17+/m0/s1