O1-(cyanomethyl) O4-[(4,5-dimethoxy-2-nitro-phenyl)methyl] (2S)-2-(pent-4-enoylamino)butanedioate

Systemtic Name: O1-(cyanomethyl) O4-[(4,5-dimethoxy-2-nitro-phenyl)methyl] (2S)-2-(pent-4-enoylamino)butanedioate Openeye Name: O1-(cyanomethyl) O4-[(4,5-dimethoxy-2-nitro-phenyl)methyl] (2S)-2-(pent-4-enoylamino)butanedioate CAS Name: (2S)-2-(1-oxopent-4-enylamino)butanedioic acid O1-(cyanomethyl) ester O4-[(4,5-dimethoxy-2-nitrophenyl)methyl] ester IUPAC Name: 1-O-(cyanomethyl) 4-O-[(4,5-dimethoxy-2-nitrophenyl)methyl] (2S)-2-(pent-4-enoylamino)butanedioate Traditional Name: (2S)-2-(pent-4-enoylamino)succinic acid O1-(cyanomethyl) ester O4-(4,5-dimethoxy-2-nitro-benzyl) ester Formula: C20H23N3O9 MolecularWeight: 449.41132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)CC(C(=O)OCC#N)NC(=O)CCC=C)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)C[C@@H](C(=O)OCC#N)NC(=O)CCC=C)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N3O9/c1-4-5-6-18(24)22-14(20(26)31-8-7-21)10-19(25)32-12-13-9-16(29-2)17(30-3)11-15(13)23(27)28/h4,9,11,14H,1,5-6,8,10,12H2,2-3H3,(H,22,24)/t14-/m0/s1