(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-nitrobenzoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-nitrobenzoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C21H13NO6 MolecularWeight: 375.33102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H13NO6/c23-19-11-14(12-27-21(24)16-7-3-4-8-17(16)22(25)26)20-15-6-2-1-5-13(15)9-10-18(20)28-19/h1-11H,12H2