methyl 3-(6-methyl-4-oxidanylidene-chromen-2-yl)-5-nitro-benzoate

Systemtic Name: methyl 3-(6-methyl-4-oxidanylidene-chromen-2-yl)-5-nitro-benzoate Openeye Name: methyl 3-(6-methyl-4-oxo-chromen-2-yl)-5-nitro-benzoate CAS Name: 3-(6-methyl-4-oxo-1-benzopyran-2-yl)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(6-methyl-4-oxochromen-2-yl)-5-nitrobenzoate Traditional Name: 3-(4-keto-6-methyl-chromen-2-yl)-5-nitro-benzoic acid methyl ester Formula: C18H13NO6 MolecularWeight: 339.29892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13NO6/c1-10-3-4-16-14(5-10)15(20)9-17(25-16)11-6-12(18(21)24-2)8-13(7-11)19(22)23/h3-9H,1-2H3