2-[(2,3-dihydro-1H-inden-5-ylcarbonylamino)methyl]-4-nitro-phenolate

Systemtic Name: 2-[(2,3-dihydro-1H-inden-5-ylcarbonylamino)methyl]-4-nitro-phenolate Openeye Name: 2-[(indane-5-carbonylamino)methyl]-4-nitro-phenolate CAS Name: 2-[[[2,3-dihydro-1H-inden-5-yl(oxo)methyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]-4-nitrophenolate Traditional Name: 2-[(indane-5-carbonylamino)methyl]-4-nitro-phenolate Formula: C17H15N2O4- MolecularWeight: 311.312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H16N2O4/c20-16-7-6-15(19(22)23)9-14(16)10-18-17(21)13-5-4-11-2-1-3-12(11)8-13/h4-9,20H,1-3,10H2,(H,18,21)/p-1