(phenylmethyl) 2-[1-(benzotriazol-1-yl)-2-nitro-ethyl]pyrrole-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[1-(benzotriazol-1-yl)-2-nitro-ethyl]pyrrole-1-carboxylate Openeye Name: benzyl 2-[1-(benzotriazol-1-yl)-2-nitro-ethyl]pyrrole-1-carboxylate CAS Name: 2-[1-(1-benzotriazolyl)-2-nitroethyl]-1-pyrrolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-(benzotriazol-1-yl)-2-nitroethyl]pyrrole-1-carboxylate Traditional Name: 2-[1-(benzotriazol-1-yl)-2-nitro-ethyl]pyrrole-1-carboxylic acid benzyl ester Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C=CC=C2C(C[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N2C=CC=C2C(C[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H17N5O4/c26-20(29-14-15-7-2-1-3-8-15)23-12-6-11-18(23)19(13-24(27)28)25-17-10-5-4-9-16(17)21-22-25/h1-12,19H,13-14H2