(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: (1-phenyltetrazol-5-yl)methyl 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C22H18N6O4 MolecularWeight: 430.41612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H18N6O4/c29-22(32-15-21-24-25-26-27(21)17-9-5-2-6-10-17)19-13-18(28(30)31)11-12-20(19)23-14-16-7-3-1-4-8-16/h1-13,23H,14-15H2