ethyl 3-[[[5-(4-fluorophenyl)thiophen-2-yl]carbonylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[[5-(4-fluorophenyl)thiophen-2-yl]carbonylamino]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[[5-(4-fluorophenyl)-2-thiophenyl]-oxomethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H16FN3O6S MolecularWeight: 457.431643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC=C(S2)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC=C(S2)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H16FN3O6S/c1-2-31-21(28)14-9-13(10-16(11-14)25(29)30)19(26)23-24-20(27)18-8-7-17(32-18)12-3-5-15(22)6-4-12/h3-11H,2H2,1H3,(H,23,26)(H,24,27)