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

Systemtic Name: (4Z)-4-[1-[(2-methyl-5-nitro-phenyl)amino]ethylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one Openeye Name: (4Z)-4-[1-(2-methyl-5-nitro-anilino)ethylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one CAS Name: (4Z)-4-[1-(2-methyl-5-nitroanilino)ethylidene]-2-(4-nitrophenyl)-5-propyl-3-pyrazolone IUPAC Name: (4Z)-4-[1-(2-methyl-5-nitroanilino)ethylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one Traditional Name: (4Z)-4-[1-(2-methyl-5-nitro-anilino)ethylidene]-2-(4-nitrophenyl)-5-propyl-2-pyrazolin-3-one Formula: C21H21N5O5 MolecularWeight: 423.42194

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O5/c1-4-5-18-20(14(3)22-19-12-17(26(30)31)7-6-13(19)2)21(27)24(23-18)15-8-10-16(11-9-15)25(28)29/h6-12,22H,4-5H2,1-3H3/b20-14-