2-(4-bromophenyl)-5-methyl-4-[[(2-methyl-4-nitro-phenyl)amino]methylidene]pyrazol-3-one

Systemtic Name: 2-(4-bromophenyl)-5-methyl-4-[[(2-methyl-4-nitro-phenyl)amino]methylidene]pyrazol-3-one Openeye Name: 2-(4-bromophenyl)-5-methyl-4-[(2-methyl-4-nitro-anilino)methylene]pyrazol-3-one CAS Name: 2-(4-bromophenyl)-5-methyl-4-[(2-methyl-4-nitroanilino)methylidene]-3-pyrazolone IUPAC Name: 2-(4-bromophenyl)-5-methyl-4-[(2-methyl-4-nitroanilino)methylidene]pyrazol-3-one Traditional Name: 2-(4-bromophenyl)-5-methyl-4-[(2-methyl-4-nitro-anilino)methylene]-2-pyrazolin-3-one Formula: C18H15BrN4O3 MolecularWeight: 415.2407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN4O3/c1-11-9-15(23(25)26)7-8-17(11)20-10-16-12(2)21-22(18(16)24)14-5-3-13(19)4-6-14/h3-10,20H,1-2H3