(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (1-phenyltetrazol-5-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C19H18N6O4 MolecularWeight: 394.38402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O4/c26-19(29-13-18-20-21-22-24(18)15-6-2-1-3-7-15)14-8-9-16(17(12-14)25(27)28)23-10-4-5-11-23/h1-3,6-9,12H,4-5,10-11,13H2