(1-nitro-4-phenyl-cyclohexa-2,5-dien-1-yl) benzoate

Systemtic Name: (1-nitro-4-phenyl-cyclohexa-2,5-dien-1-yl) benzoate Openeye Name: (1-nitro-4-phenyl-cyclohexa-2,5-dien-1-yl) benzoate CAS Name: benzoic acid (1-nitro-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-nitro-4-phenylcyclohexa-2,5-dien-1-yl) benzoate Traditional Name: benzoic acid (1-nitro-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C19H15NO4 MolecularWeight: 321.3267

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C=CC(C=C2)([N+](=O)[O-])OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2C=CC(C=C2)([N+](=O)[O-])OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H15NO4/c21-18(17-9-5-2-6-10-17)24-19(20(22)23)13-11-16(12-14-19)15-7-3-1-4-8-15/h1-14,16H