4-(5-methylfuran-2-yl)-7-nitro-3-(3-oxidanylidenebutyl)isochromen-1-one

Systemtic Name: 4-(5-methylfuran-2-yl)-7-nitro-3-(3-oxidanylidenebutyl)isochromen-1-one Openeye Name: 4-(5-methyl-2-furyl)-7-nitro-3-(3-oxobutyl)isochromen-1-one CAS Name: 4-(5-methyl-2-furanyl)-7-nitro-3-(3-oxobutyl)-2-benzopyran-1-one IUPAC Name: 4-(5-methylfuran-2-yl)-7-nitro-3-(3-oxobutyl)isochromen-1-one Traditional Name: 3-(3-ketobutyl)-4-(5-methyl-2-furyl)-7-nitro-isocoumarin Formula: C18H15NO6 MolecularWeight: 341.3148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=C(OC(=O)C3=C2C=CC(=C3)[N+](=O)[O-])CCC(=O)C

Isomeric SMILES

CC1=CC=C(O1)C2=C(OC(=O)C3=C2C=CC(=C3)[N+](=O)[O-])CCC(=O)C

InChI

InChI=1S/C18H15NO6/c1-10(20)3-7-16-17(15-8-4-11(2)24-15)13-6-5-12(19(22)23)9-14(13)18(21)25-16/h4-6,8-9H,3,7H2,1-2H3