[2-[1-(benzotriazol-1-yl)-2-nitro-ethyl]phenyl] benzoate

Systemtic Name: [2-[1-(benzotriazol-1-yl)-2-nitro-ethyl]phenyl] benzoate Openeye Name: [2-[1-(benzotriazol-1-yl)-2-nitro-ethyl]phenyl] benzoate CAS Name: benzoic acid [2-[1-(1-benzotriazolyl)-2-nitroethyl]phenyl] ester IUPAC Name: [2-[1-(benzotriazol-1-yl)-2-nitroethyl]phenyl] benzoate Traditional Name: benzoic acid [2-[1-(benzotriazol-1-yl)-2-nitro-ethyl]phenyl] ester Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C(C[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C(C[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H16N4O4/c26-21(15-8-2-1-3-9-15)29-20-13-7-4-10-16(20)19(14-24(27)28)25-18-12-6-5-11-17(18)22-23-25/h1-13,19H,14H2