(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 4-oxo-1H-quinoline-2-carboxylate CAS Name: 4-oxo-1H-quinoline-2-carboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 4-oxo-1H-quinoline-2-carboxylate Traditional Name: 4-keto-1H-quinoline-2-carboxylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C16H17N5O3/c1-2-3-8-21-15(18-19-20-21)10-24-16(23)13-9-14(22)11-6-4-5-7-12(11)17-13/h4-7,9H,2-3,8,10H2,1H3,(H,17,22)