N-[(E)-(3-nitrophenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(E)-(3-nitrophenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-(3-nitrophenyl)methyleneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: N-[(E)-(3-nitrophenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-(3-nitrophenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-[(E)-(3-nitrobenzylidene)amino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Formula: C25H29N5O4 MolecularWeight: 463.52886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O4/c1-2-3-4-5-6-7-15-34-22-13-11-20(12-14-22)23-17-24(28-27-23)25(31)29-26-18-19-9-8-10-21(16-19)30(32)33/h8-14,16-18H,2-7,15H2,1H3,(H,27,28)(H,29,31)/b26-18+