methyl 4-[2-[azido(1,3-benzodioxol-5-yl)methyl]-1H-indol-3-yl]but-2-ynoate

Systemtic Name: methyl 4-[2-[azido(1,3-benzodioxol-5-yl)methyl]-1H-indol-3-yl]but-2-ynoate Openeye Name: methyl 4-[2-[azido(1,3-benzodioxol-5-yl)methyl]-1H-indol-3-yl]but-2-ynoate CAS Name: 4-[2-[azido(1,3-benzodioxol-5-yl)methyl]-1H-indol-3-yl]-2-butynoic acid methyl ester IUPAC Name: methyl 4-[2-[azido(1,3-benzodioxol-5-yl)methyl]-1H-indol-3-yl]but-2-ynoate Traditional Name: 4-[2-[azido(1,3-benzodioxol-5-yl)methyl]-1H-indol-3-yl]but-2-ynoic acid methyl ester Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCC1=C(NC2=CC=CC=C21)C(C3=CC4=C(C=C3)OCO4)N=[N+]=[N-]

Isomeric SMILES

COC(=O)C#CCC1=C(NC2=CC=CC=C21)C(C3=CC4=C(C=C3)OCO4)N=[N+]=[N-]

InChI

InChI=1S/C21H16N4O4/c1-27-19(26)8-4-6-15-14-5-2-3-7-16(14)23-21(15)20(24-25-22)13-9-10-17-18(11-13)29-12-28-17/h2-3,5,7,9-11,20,23H,6,12H2,1H3