3-[1-(4-methylphenyl)-2-nitro-ethyl]-2-oxidanyl-chromen-4-one

Systemtic Name: 3-[1-(4-methylphenyl)-2-nitro-ethyl]-2-oxidanyl-chromen-4-one Openeye Name: 2-hydroxy-3-[2-nitro-1-(p-tolyl)ethyl]chromen-4-one CAS Name: 2-hydroxy-3-[1-(4-methylphenyl)-2-nitroethyl]-1-benzopyran-4-one IUPAC Name: 2-hydroxy-3-[1-(4-methylphenyl)-2-nitroethyl]chromen-4-one Traditional Name: 2-hydroxy-3-[2-nitro-1-(p-tolyl)ethyl]chromone Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[N+](=O)[O-])C2=C(OC3=CC=CC=C3C2=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C[N+](=O)[O-])C2=C(OC3=CC=CC=C3C2=O)O

InChI

InChI=1S/C18H15NO5/c1-11-6-8-12(9-7-11)14(10-19(22)23)16-17(20)13-4-2-3-5-15(13)24-18(16)21/h2-9,14,21H,10H2,1H3