N-[4-[[1-(2,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-3-nitro-phenyl]ethanamide

Systemtic Name: N-[4-[[1-(2,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-3-nitro-phenyl]ethanamide Openeye Name: N-[4-[[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]-3-nitro-phenyl]acetamide CAS Name: N-[4-[[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]-3-nitrophenyl]acetamide IUPAC Name: N-[4-[[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]-3-nitrophenyl]acetamide Traditional Name: N-[4-[[1-(2,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylamino]-3-nitro-phenyl]acetamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(=CNC3=C(C=C(C=C3)NC(=O)C)[N+](=O)[O-])C(=N2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C(=CNC3=C(C=C(C=C3)NC(=O)C)[N+](=O)[O-])C(=N2)C)C

InChI

InChI=1S/C21H21N5O4/c1-12-5-8-19(13(2)9-12)25-21(28)17(14(3)24-25)11-22-18-7-6-16(23-15(4)27)10-20(18)26(29)30/h5-11,22H,1-4H3,(H,23,27)