[(2S)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (2R,3S)-3-methyl-2-phenyl-pentanoate

Systemtic Name: [(2S)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (2R,3S)-3-methyl-2-phenyl-pentanoate Openeye Name: [(1S)-2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl] (2R,3S)-3-methyl-2-phenyl-pentanoate CAS Name: (2R,3S)-3-methyl-2-phenylpentanoic acid [(2S)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] (2R,3S)-3-methyl-2-phenylpentanoate Traditional Name: (2R,3S)-3-methyl-2-phenyl-valeric acid [(1S)-2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)[C@H](C1=CC=CC=C1)C(=O)O[C@@H](C)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O6/c1-5-14(2)20(16-9-7-6-8-10-16)22(26)30-15(3)21(25)23-18-12-11-17(29-4)13-19(18)24(27)28/h6-15,20H,5H2,1-4H3,(H,23,25)/t14-,15-,20+/m0/s1