methyl 3-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-4-fluoro-benzoate CAS Name: 3-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-4-fluorobenzoate Traditional Name: 3-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-4-fluoro-benzoic acid methyl ester Formula: C18H16FN3O5 MolecularWeight: 373.335143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C18H16FN3O5/c1-27-18(24)11-2-6-13(19)15(8-11)21-17(23)10-3-7-14(20-12-4-5-12)16(9-10)22(25)26/h2-3,6-9,12,20H,4-5H2,1H3,(H,21,23)