4-[(4-nitro-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl)amino]benzoate

Systemtic Name: 4-[(4-nitro-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl)amino]benzoate Openeye Name: 4-[(4-nitro-7-oxo-cyclohepta-1,3,5-trien-1-yl)amino]benzoate CAS Name: 4-[(4-nitro-7-oxo-1-cyclohepta-1,3,5-trienyl)amino]benzoate IUPAC Name: 4-[(4-nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino]benzoate Traditional Name: 4-[(7-keto-4-nitro-cyclohepta-1,3,5-trien-1-yl)amino]benzoate Formula: C14H9N2O5- MolecularWeight: 285.23166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC2=CC=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC2=CC=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O5/c17-13-8-6-11(16(20)21)5-7-12(13)15-10-3-1-9(2-4-10)14(18)19/h1-8H,(H,15,17)(H,18,19)/p-1