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

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

Click to see the large picture

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