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

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (1-phenyltetrazol-5-yl)methyl 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O4/c1-15-9-11-25(12-10-15)18-8-7-16(13-19(18)27(29)30)21(28)31-14-20-22-23-24-26(20)17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3