dimethyl (2S)-2-[(3-methoxyphenyl)methyl-(2-nitrophenyl)carbonyl-amino]butanedioate

Systemtic Name: dimethyl (2S)-2-[(3-methoxyphenyl)methyl-(2-nitrophenyl)carbonyl-amino]butanedioate Openeye Name: dimethyl (2S)-2-[(3-methoxyphenyl)methyl-(2-nitrobenzoyl)amino]butanedioate CAS Name: (2S)-2-[(3-methoxyphenyl)methyl-[(2-nitrophenyl)-oxomethyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[(3-methoxyphenyl)methyl-(2-nitrobenzoyl)amino]butanedioate Traditional Name: (2S)-2-[m-anisyl-(2-nitrobenzoyl)amino]succinic acid dimethyl ester Formula: C21H22N2O8 MolecularWeight: 430.40798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(C(CC(=O)OC)C(=O)OC)C(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CN([C@@H](CC(=O)OC)C(=O)OC)C(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O8/c1-29-15-8-6-7-14(11-15)13-22(18(21(26)31-3)12-19(24)30-2)20(25)16-9-4-5-10-17(16)23(27)28/h4-11,18H,12-13H2,1-3H3/t18-/m0/s1