(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-nitrobenzoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-nitrobenzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C18H13NO6 MolecularWeight: 339.29892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H13NO6/c1-11-6-7-13-12(9-17(20)25-16(13)8-11)10-24-18(21)14-4-2-3-5-15(14)19(22)23/h2-9H,10H2,1H3