[(1S)-1-(3-nitrophenyl)ethyl] 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: [(1S)-1-(3-nitrophenyl)ethyl] 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: [(1S)-1-(3-nitrophenyl)ethyl] 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid [(1S)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1S)-1-(3-nitrophenyl)ethyl] 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid [(1S)-1-(3-nitrophenyl)ethyl] ester Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H18N4O4/c1-15(18-5-4-6-19(13-18)26(28)29)30-22(27)17-11-9-16(10-12-17)14-25-21-8-3-2-7-20(21)23-24-25/h2-13,15H,14H2,1H3/t15-/m0/s1