[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R,3S)-3-methyl-2-phenyl-pentanoate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R,3S)-3-methyl-2-phenyl-pentanoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] (2R,3S)-3-methyl-2-phenyl-pentanoate CAS Name: (2R,3S)-3-methyl-2-phenylpentanoic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate Traditional Name: (2R,3S)-3-methyl-2-phenyl-valeric acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/c1-4-14(2)20(16-9-6-5-7-10-16)21(25)28-13-19(24)22-17-11-8-12-18(15(17)3)23(26)27/h5-12,14,20H,4,13H2,1-3H3,(H,22,24)/t14-,20+/m0/s1