[(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (2E,4E)-hexa-2,4-dienoate

Systemtic Name: [(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (2E,4E)-hexa-2,4-dienoate Openeye Name: [(1S)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid [(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid [(1S)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O6/c1-4-5-6-7-15(19)24-11(2)16(20)17-13-10-12(18(21)22)8-9-14(13)23-3/h4-11H,1-3H3,(H,17,20)/b5-4+,7-6+/t11-/m0/s1