5-methyl-2-(4-nitrophenyl)-4-[1-(pentylamino)ethylidene]pyrazol-3-one

Systemtic Name: 5-methyl-2-(4-nitrophenyl)-4-[1-(pentylamino)ethylidene]pyrazol-3-one Openeye Name: 5-methyl-2-(4-nitrophenyl)-4-[1-(pentylamino)ethylidene]pyrazol-3-one CAS Name: 5-methyl-2-(4-nitrophenyl)-4-[1-(pentylamino)ethylidene]-3-pyrazolone IUPAC Name: 5-methyl-2-(4-nitrophenyl)-4-[1-(pentylamino)ethylidene]pyrazol-3-one Traditional Name: 4-[1-(amylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=C1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CCCCCNC(=C1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C17H22N4O3/c1-4-5-6-11-18-12(2)16-13(3)19-20(17(16)22)14-7-9-15(10-8-14)21(23)24/h7-10,18H,4-6,11H2,1-3H3