[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-methoxy-benzoate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-methoxy-benzoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 3-ethoxy-4-methoxy-benzoate CAS Name: 3-ethoxy-4-methoxybenzoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate Traditional Name: 3-ethoxy-4-methoxy-benzoic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C18H17FN2O7 MolecularWeight: 392.335183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17FN2O7/c1-3-27-16-8-11(4-7-15(16)26-2)18(23)28-10-17(22)20-12-5-6-13(19)14(9-12)21(24)25/h4-9H,3,10H2,1-2H3,(H,20,22)