(4-nitrophenyl)methyl 2-(5-naphthalen-2-ylcarbonyl-1,2,3,4-tetrazol-1-yl)ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-(5-naphthalen-2-ylcarbonyl-1,2,3,4-tetrazol-1-yl)ethanoate Openeye Name: (4-nitrophenyl)methyl 2-[5-(naphthalene-2-carbonyl)tetrazol-1-yl]acetate CAS Name: 2-[5-[2-naphthalenyl(oxo)methyl]-1-tetrazolyl]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[5-(naphthalene-2-carbonyl)tetrazol-1-yl]acetate Traditional Name: 2-[5-(2-naphthoyl)tetrazol-1-yl]acetic acid (4-nitrobenzyl) ester Formula: C21H15N5O5 MolecularWeight: 417.3743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)C3=NN=NN3CC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)C3=NN=NN3CC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O5/c27-19(31-13-14-5-9-18(10-6-14)26(29)30)12-25-21(22-23-24-25)20(28)17-8-7-15-3-1-2-4-16(15)11-17/h1-11H,12-13H2