(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-nitrobenzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-nitrobenzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C19H15NO6 MolecularWeight: 353.3255

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H15NO6/c1-11-6-7-16-14(9-17(21)26-18(16)12(11)2)10-25-19(22)13-4-3-5-15(8-13)20(23)24/h3-9H,10H2,1-2H3