5-nitro-2-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-one

Systemtic Name: 5-nitro-2-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-one Openeye Name: 5-nitro-2-[(4-nitrophenyl)methyl]indan-1-one CAS Name: 5-nitro-2-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-one IUPAC Name: 5-nitro-2-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-one Traditional Name: 5-nitro-2-(4-nitrobenzyl)indan-1-one Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=C1C=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(C(=O)C2=C1C=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O5/c19-16-12(7-10-1-3-13(4-2-10)17(20)21)8-11-9-14(18(22)23)5-6-15(11)16/h1-6,9,12H,7-8H2