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

Systemtic Name: bis[(4,5-dimethoxy-2-nitro-phenyl)methyl] (2S)-2-(pent-4-enoylamino)butanedioate Openeye Name: bis[(4,5-dimethoxy-2-nitro-phenyl)methyl] (2S)-2-(pent-4-enoylamino)butanedioate CAS Name: (2S)-2-(1-oxopent-4-enylamino)butanedioic acid bis[(4,5-dimethoxy-2-nitrophenyl)methyl] ester IUPAC Name: bis[(4,5-dimethoxy-2-nitrophenyl)methyl] (2S)-2-(pent-4-enoylamino)butanedioate Traditional Name: (2S)-2-(pent-4-enoylamino)succinic acid bis(4,5-dimethoxy-2-nitro-benzyl) ester Formula: C27H31N3O13 MolecularWeight: 605.54734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)CC(C(=O)OCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)NC(=O)CCC=C)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)C[C@@H](C(=O)OCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)NC(=O)CCC=C)[N+](=O)[O-])OC

InChI

InChI=1S/C27H31N3O13/c1-6-7-8-25(31)28-18(27(33)43-15-17-10-22(39-3)24(41-5)13-20(17)30(36)37)11-26(32)42-14-16-9-21(38-2)23(40-4)12-19(16)29(34)35/h6,9-10,12-13,18H,1,7-8,11,14-15H2,2-5H3,(H,28,31)/t18-/m0/s1