6-ethyl-4-[[(4-fluoranyl-3-nitro-phenyl)amino]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-[[(4-fluoranyl-3-nitro-phenyl)amino]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-4-[(4-fluoro-3-nitro-anilino)methyl]-7-hydroxy-chromen-2-one CAS Name: 6-ethyl-4-[(4-fluoro-3-nitroanilino)methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-[(4-fluoro-3-nitroanilino)methyl]-7-hydroxychromen-2-one Traditional Name: 6-ethyl-4-[(4-fluoro-3-nitro-anilino)methyl]-7-hydroxy-coumarin Formula: C18H15FN2O5 MolecularWeight: 358.320503

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC3=CC(=C(C=C3)F)[N+](=O)[O-])O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC3=CC(=C(C=C3)F)[N+](=O)[O-])O

InChI

InChI=1S/C18H15FN2O5/c1-2-10-5-13-11(6-18(23)26-17(13)8-16(10)22)9-20-12-3-4-14(19)15(7-12)21(24)25/h3-8,20,22H,2,9H2,1H3