[(2S)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-pent-2-enoate

Systemtic Name: [(2S)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-pent-2-enoate Openeye Name: [(1S)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic acid [(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] (E)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [(1S)-2-keto-2-(2-methoxy-4-nitro-anilino)-1-methyl-ethyl] ester Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O6/c1-4-5-6-14(18)23-10(2)15(19)16-12-8-7-11(17(20)21)9-13(12)22-3/h5-10H,4H2,1-3H3,(H,16,19)/b6-5+/t10-/m0/s1