dimethyl (2S)-2-[(4-chloranyl-2-nitro-phenyl)carbonyl-[(3-methoxyphenyl)methyl]amino]butanedioate

Systemtic Name: dimethyl (2S)-2-[(4-chloranyl-2-nitro-phenyl)carbonyl-[(3-methoxyphenyl)methyl]amino]butanedioate Openeye Name: dimethyl (2S)-2-[(4-chloro-2-nitro-benzoyl)-[(3-methoxyphenyl)methyl]amino]butanedioate CAS Name: (2S)-2-[[(4-chloro-2-nitrophenyl)-oxomethyl]-[(3-methoxyphenyl)methyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[(4-chloro-2-nitrobenzoyl)-[(3-methoxyphenyl)methyl]amino]butanedioate Traditional Name: (2S)-2-[(4-chloro-2-nitro-benzoyl)-m-anisyl-amino]succinic acid dimethyl ester Formula: C21H21ClN2O8 MolecularWeight: 464.85304

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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=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O8/c1-30-15-6-4-5-13(9-15)12-23(18(21(27)32-3)11-19(25)31-2)20(26)16-8-7-14(22)10-17(16)24(28)29/h4-10,18H,11-12H2,1-3H3/t18-/m0/s1