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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-nitrobenzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 4-nitrobenzoate Traditional Name: 4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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