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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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