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

Systemtic Name: N-[(E)-(3-nitrophenyl)methylideneamino]-3-(4-pentoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-(3-nitrophenyl)methyleneamino]-3-(4-pentoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: N-[(E)-(3-nitrophenyl)methylideneamino]-3-(4-pentoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-(3-nitrophenyl)methylideneamino]-3-(4-pentoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-amoxyphenyl)-N-[(E)-(3-nitrobenzylidene)amino]-1H-pyrazole-5-carboxamide Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4/c1-2-3-4-12-31-19-10-8-17(9-11-19)20-14-21(25-24-20)22(28)26-23-15-16-6-5-7-18(13-16)27(29)30/h5-11,13-15H,2-4,12H2,1H3,(H,24,25)(H,26,28)/b23-15+