dimethyl (2S)-2-[(2,4-dinitrophenyl)carbonyl-[(3-methoxyphenyl)methyl]amino]butanedioate

Systemtic Name: dimethyl (2S)-2-[(2,4-dinitrophenyl)carbonyl-[(3-methoxyphenyl)methyl]amino]butanedioate Openeye Name: dimethyl (2S)-2-[(2,4-dinitrobenzoyl)-[(3-methoxyphenyl)methyl]amino]butanedioate CAS Name: (2S)-2-[[(2,4-dinitrophenyl)-oxomethyl]-[(3-methoxyphenyl)methyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[(2,4-dinitrobenzoyl)-[(3-methoxyphenyl)methyl]amino]butanedioate Traditional Name: (2S)-2-[(2,4-dinitrobenzoyl)-m-anisyl-amino]succinic acid dimethyl ester Formula: C21H21N3O10 MolecularWeight: 475.40554

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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)[N+](=O)[O-])[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)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O10/c1-32-15-6-4-5-13(9-15)12-22(18(21(27)34-3)11-19(25)33-2)20(26)16-8-7-14(23(28)29)10-17(16)24(30)31/h4-10,18H,11-12H2,1-3H3/t18-/m0/s1