(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 9,10-bis(oxidanylidene)anthracene-1-carboxylate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 9,10-bis(oxidanylidene)anthracene-1-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 9,10-dioxoanthracene-1-carboxylate CAS Name: 9,10-dioxo-1-anthracenecarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 9,10-dioxoanthracene-1-carboxylate Traditional Name: 9,10-diketoanthracene-1-carboxylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H18N4O4/c1-2-3-11-25-17(22-23-24-25)12-29-21(28)16-10-6-9-15-18(16)20(27)14-8-5-4-7-13(14)19(15)26/h4-10H,2-3,11-12H2,1H3