dimethyl (2S)-2-[(4-methoxycarbonylphenyl)methyl-(2-nitrophenyl)carbonyl-amino]butanedioate

Systemtic Name: dimethyl (2S)-2-[(4-methoxycarbonylphenyl)methyl-(2-nitrophenyl)carbonyl-amino]butanedioate Openeye Name: dimethyl (2S)-2-[(4-methoxycarbonylphenyl)methyl-(2-nitrobenzoyl)amino]butanedioate CAS Name: (2S)-2-[(4-methoxycarbonylphenyl)methyl-[(2-nitrophenyl)-oxomethyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[(4-methoxycarbonylphenyl)methyl-(2-nitrobenzoyl)amino]butanedioate Traditional Name: (2S)-2-[(4-carbomethoxybenzyl)-(2-nitrobenzoyl)amino]succinic acid dimethyl ester Formula: C22H22N2O9 MolecularWeight: 458.41808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC)N(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC(=O)C[C@@H](C(=O)OC)N(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O9/c1-31-19(25)12-18(22(28)33-3)23(13-14-8-10-15(11-9-14)21(27)32-2)20(26)16-6-4-5-7-17(16)24(29)30/h4-11,18H,12-13H2,1-3H3/t18-/m0/s1