[10-propanoyloxy-3-(2H-1,2,3,4-tetrazol-5-yl)-9,10-dihydroanthracen-9-yl] propanoate

Systemtic Name: [10-propanoyloxy-3-(2H-1,2,3,4-tetrazol-5-yl)-9,10-dihydroanthracen-9-yl] propanoate Openeye Name: [10-propanoyloxy-3-(2H-tetrazol-5-yl)-9,10-dihydroanthracen-9-yl] propanoate CAS Name: propanoic acid [10-(1-oxopropoxy)-3-(2H-tetrazol-5-yl)-9,10-dihydroanthracen-9-yl] ester IUPAC Name: [10-propanoyloxy-3-(2H-tetrazol-5-yl)-9,10-dihydroanthracen-9-yl] propanoate Traditional Name: propionic acid [10-propionyloxy-3-(2H-tetrazol-5-yl)-9,10-dihydroanthracen-9-yl] ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1C2=C(C=C(C=C2)C3=NNN=N3)C(C4=CC=CC=C14)OC(=O)CC

Isomeric SMILES

CCC(=O)OC1C2=C(C=C(C=C2)C3=NNN=N3)C(C4=CC=CC=C14)OC(=O)CC

InChI

InChI=1S/C21H20N4O4/c1-3-17(26)28-19-13-7-5-6-8-14(13)20(29-18(27)4-2)16-11-12(9-10-15(16)19)21-22-24-25-23-21/h5-11,19-20H,3-4H2,1-2H3,(H,22,23,24,25)