N-(3,4-dimethylphenyl)-1-[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: N-(3,4-dimethylphenyl)-1-[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-(3,4-dimethylphenyl)-1-[2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl]-6-oxo-pyridazine-3-carboxamide CAS Name: N-(3,4-dimethylphenyl)-1-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]-6-oxo-3-pyridazinecarboxamide IUPAC Name: N-(3,4-dimethylphenyl)-1-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide Traditional Name: N-(3,4-dimethylphenyl)-1-[2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl]-6-keto-pyridazine-3-carboxamide Formula: C21H18FN5O5 MolecularWeight: 439.396523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C=C2)CC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C=C2)CC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C

InChI

InChI=1S/C21H18FN5O5/c1-12-3-4-14(9-13(12)2)24-21(30)17-7-8-20(29)26(25-17)11-19(28)23-15-5-6-16(22)18(10-15)27(31)32/h3-10H,11H2,1-2H3,(H,23,28)(H,24,30)