bis[(4-nitrophenyl)methyl] (2S)-2-azanylbutanedioate

Systemtic Name: bis[(4-nitrophenyl)methyl] (2S)-2-azanylbutanedioate Openeye Name: bis[(4-nitrophenyl)methyl] (2S)-2-aminobutanedioate CAS Name: (2S)-2-aminobutanedioic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] (2S)-2-aminobutanedioate Traditional Name: (2S)-2-aminosuccinic acid bis(4-nitrobenzyl) ester Formula: C18H17N3O8 MolecularWeight: 403.34288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CC(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C[C@@H](C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O8/c19-16(18(23)29-11-13-3-7-15(8-4-13)21(26)27)9-17(22)28-10-12-1-5-14(6-2-12)20(24)25/h1-8,16H,9-11,19H2/t16-/m0/s1