(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-nitrobenzoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-nitrobenzoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C19H15NO6 MolecularWeight: 353.3255

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

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