[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R,3R)-3-methyl-2-phenyl-pentanoate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R,3R)-3-methyl-2-phenyl-pentanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] (2R,3R)-3-methyl-2-phenyl-pentanoate CAS Name: (2R,3R)-3-methyl-2-phenylpentanoic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate Traditional Name: (2R,3R)-3-methyl-2-phenyl-valeric acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6/c1-4-14(2)20(15-8-6-5-7-9-15)21(25)29-13-19(24)22-17-12-16(23(26)27)10-11-18(17)28-3/h5-12,14,20H,4,13H2,1-3H3,(H,22,24)/t14-,20-/m1/s1