(4Z)-4-[1-[(2-methyl-5-nitro-phenyl)amino]ethylidene]-2-phenyl-5-propyl-pyrazol-3-one

Systemtic Name: (4Z)-4-[1-[(2-methyl-5-nitro-phenyl)amino]ethylidene]-2-phenyl-5-propyl-pyrazol-3-one Openeye Name: (4Z)-4-[1-(2-methyl-5-nitro-anilino)ethylidene]-2-phenyl-5-propyl-pyrazol-3-one CAS Name: (4Z)-4-[1-(2-methyl-5-nitroanilino)ethylidene]-2-phenyl-5-propyl-3-pyrazolone IUPAC Name: (4Z)-4-[1-(2-methyl-5-nitroanilino)ethylidene]-2-phenyl-5-propylpyrazol-3-one Traditional Name: (4Z)-4-[1-(2-methyl-5-nitro-anilino)ethylidene]-2-phenyl-5-propyl-2-pyrazolin-3-one Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NC2=C(C=CC(=C2)[N+](=O)[O-])C)C3=CC=CC=C3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NC2=C(C=CC(=C2)[N+](=O)[O-])C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3/c1-4-8-18-20(21(26)24(23-18)16-9-6-5-7-10-16)15(3)22-19-13-17(25(27)28)12-11-14(19)2/h5-7,9-13,22H,4,8H2,1-3H3/b20-15-