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

Systemtic Name: (5-methyl-2-oxidanylidene-chromen-7-yl) 4-nitrobenzoate Openeye Name: (5-methyl-2-oxo-chromen-7-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (5-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (5-methyl-2-oxochromen-7-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-keto-5-methyl-chromen-7-yl) ester Formula: C17H11NO6 MolecularWeight: 325.27234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C=CC(=O)O2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC2=C1C=CC(=O)O2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H11NO6/c1-10-8-13(9-15-14(10)6-7-16(19)24-15)23-17(20)11-2-4-12(5-3-11)18(21)22/h2-9H,1H3