2-[(3-fluoranyl-4-methyl-phenyl)carbonylamino]-5-nitro-benzoic acid

Systemtic Name: 2-[(3-fluoranyl-4-methyl-phenyl)carbonylamino]-5-nitro-benzoic acid Openeye Name: 2-[(3-fluoro-4-methyl-benzoyl)amino]-5-nitro-benzoic acid CAS Name: 2-[[(3-fluoro-4-methylphenyl)-oxomethyl]amino]-5-nitrobenzoic acid IUPAC Name: 2-[(3-fluoro-4-methylbenzoyl)amino]-5-nitrobenzoic acid Traditional Name: 2-[(3-fluoro-4-methyl-benzoyl)amino]-5-nitro-benzoic acid Formula: C15H11FN2O5 MolecularWeight: 318.256643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)F

InChI

InChI=1S/C15H11FN2O5/c1-8-2-3-9(6-12(8)16)14(19)17-13-5-4-10(18(22)23)7-11(13)15(20)21/h2-7H,1H3,(H,17,19)(H,20,21)