N-[(2-dodecyl-1,2,3,4-tetrazol-5-yl)-phenyl-methyl]-4-nitro-benzamide

Systemtic Name: N-[(2-dodecyl-1,2,3,4-tetrazol-5-yl)-phenyl-methyl]-4-nitro-benzamide Openeye Name: N-[(2-dodecyltetrazol-5-yl)-phenyl-methyl]-4-nitro-benzamide CAS Name: N-[(2-dodecyl-5-tetrazolyl)-phenylmethyl]-4-nitrobenzamide IUPAC Name: N-[(2-dodecyltetrazol-5-yl)-phenylmethyl]-4-nitrobenzamide Traditional Name: N-[(2-lauryltetrazol-5-yl)-phenyl-methyl]-4-nitro-benzamide Formula: C27H36N6O3 MolecularWeight: 492.61314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1N=C(N=N1)C(C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCN1N=C(N=N1)C(C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H36N6O3/c1-2-3-4-5-6-7-8-9-10-14-21-32-30-26(29-31-32)25(22-15-12-11-13-16-22)28-27(34)23-17-19-24(20-18-23)33(35)36/h11-13,15-20,25H,2-10,14,21H2,1H3,(H,28,34)