(4Z)-4-[1-[(4-bromophenyl)amino]ethylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one

Systemtic Name: (4Z)-4-[1-[(4-bromophenyl)amino]ethylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one Openeye Name: (4Z)-4-[1-(4-bromoanilino)ethylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one CAS Name: (4Z)-4-[1-(4-bromoanilino)ethylidene]-2-(4-nitrophenyl)-5-propyl-3-pyrazolone IUPAC Name: (4Z)-4-[1-(4-bromoanilino)ethylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one Traditional Name: (4Z)-4-[1-(4-bromoanilino)ethylidene]-2-(4-nitrophenyl)-5-propyl-2-pyrazolin-3-one Formula: C20H19BrN4O3 MolecularWeight: 443.29386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN4O3/c1-3-4-18-19(13(2)22-15-7-5-14(21)6-8-15)20(26)24(23-18)16-9-11-17(12-10-16)25(27)28/h5-12,22H,3-4H2,1-2H3/b19-13-