methyl 2-[(4Z)-4-[1-[(2-methyl-5-nitro-phenyl)amino]ethylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(4Z)-4-[1-[(2-methyl-5-nitro-phenyl)amino]ethylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[(4Z)-4-[1-(2-methyl-5-nitro-anilino)ethylidene]-5-oxo-1-phenyl-pyrazol-3-yl]acetate CAS Name: 2-[(4Z)-4-[1-(2-methyl-5-nitroanilino)ethylidene]-5-oxo-1-phenyl-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4Z)-4-[1-(2-methyl-5-nitroanilino)ethylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate Traditional Name: 2-[(4Z)-5-keto-4-[1-(2-methyl-5-nitro-anilino)ethylidene]-1-phenyl-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=C2C(=NN(C2=O)C3=CC=CC=C3)CC(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N/C(=C\2/C(=NN(C2=O)C3=CC=CC=C3)CC(=O)OC)/C

InChI

InChI=1S/C21H20N4O5/c1-13-9-10-16(25(28)29)11-17(13)22-14(2)20-18(12-19(26)30-3)23-24(21(20)27)15-7-5-4-6-8-15/h4-11,22H,12H2,1-3H3/b20-14-