methyl (2S)-1-[3-[(2,4-dinitrophenyl)amino]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[3-[(2,4-dinitrophenyl)amino]propanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[3-(2,4-dinitroanilino)propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[3-(2,4-dinitroanilino)-1-oxopropyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[3-(2,4-dinitroanilino)propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[3-(2,4-dinitroanilino)propanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C15H18N4O7 MolecularWeight: 366.32602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)CCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)CCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O7/c1-26-15(21)12-3-2-8-17(12)14(20)6-7-16-11-5-4-10(18(22)23)9-13(11)19(24)25/h4-5,9,12,16H,2-3,6-8H2,1H3/t12-/m0/s1