[(1S,2R)-1-azido-2,3-dihydro-1H-inden-2-yl] 4-nitrobenzoate

Systemtic Name: [(1S,2R)-1-azido-2,3-dihydro-1H-inden-2-yl] 4-nitrobenzoate Openeye Name: [(1S,2R)-1-azidoindan-2-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,2R)-1-azido-2,3-dihydro-1H-inden-2-yl] ester IUPAC Name: [(1S,2R)-1-azido-2,3-dihydro-1H-inden-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,2R)-1-azidoindan-2-yl] ester Formula: C16H12N4O4 MolecularWeight: 324.29088

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=CC=CC=C21)N=[N+]=[N-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1[C@H]([C@H](C2=CC=CC=C21)N=[N+]=[N-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O4/c17-19-18-15-13-4-2-1-3-11(13)9-14(15)24-16(21)10-5-7-12(8-6-10)20(22)23/h1-8,14-15H,9H2/t14-,15+/m1/s1