(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-nitrobenzoate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-nitrobenzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C12H13N5O4 MolecularWeight: 291.26272

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O4/c1-2-7-16-11(13-14-15-16)8-21-12(18)9-5-3-4-6-10(9)17(19)20/h3-6H,2,7-8H2,1H3