methyl (2S)-1-[(2R,3R)-2-azido-3-(1,3-benzodioxol-5-yl)pent-4-enoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(2R,3R)-2-azido-3-(1,3-benzodioxol-5-yl)pent-4-enoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2R,3R)-2-azido-3-(1,3-benzodioxol-5-yl)pent-4-enoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2R,3R)-2-azido-3-(1,3-benzodioxol-5-yl)-1-oxopent-4-enyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2R,3R)-2-azido-3-(1,3-benzodioxol-5-yl)pent-4-enoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2R,3R)-2-azido-3-(1,3-benzodioxol-5-yl)pent-4-enoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C(C(C=C)C2=CC3=C(C=C2)OCO3)N=[N+]=[N-]

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)[C@@H]([C@H](C=C)C2=CC3=C(C=C2)OCO3)N=[N+]=[N-]

InChI

InChI=1S/C18H20N4O5/c1-3-12(11-6-7-14-15(9-11)27-10-26-14)16(20-21-19)17(23)22-8-4-5-13(22)18(24)25-2/h3,6-7,9,12-13,16H,1,4-5,8,10H2,2H3/t12-,13+,16-/m1/s1