4-[[5-methoxy-4-(3-methylbutoxy)-2-nitro-phenyl]methylideneamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[5-methoxy-4-(3-methylbutoxy)-2-nitro-phenyl]methylideneamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(4-isopentyloxy-5-methoxy-2-nitro-phenyl)methyleneamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[5-methoxy-4-(3-methylbutoxy)-2-nitrophenyl]methylideneamino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[5-methoxy-4-(3-methylbutoxy)-2-nitrophenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(4-isoamoxy-5-methoxy-2-nitro-benzylidene)amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C24H28N4O5 MolecularWeight: 452.50292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=C(C=C3[N+](=O)[O-])OCCC(C)C)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=C(C=C3[N+](=O)[O-])OCCC(C)C)OC

InChI

InChI=1S/C24H28N4O5/c1-16(2)11-12-33-22-14-20(28(30)31)18(13-21(22)32-5)15-25-23-17(3)26(4)27(24(23)29)19-9-7-6-8-10-19/h6-10,13-16H,11-12H2,1-5H3