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

Systemtic Name: 3-(4-butoxyphenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-butoxyphenyl)-N-[(E)-(3-nitrophenyl)methyleneamino]-1H-pyrazole-5-carboxamide CAS Name: 3-(4-butoxyphenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-butoxyphenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-butoxyphenyl)-N-[(E)-(3-nitrobenzylidene)amino]-1H-pyrazole-5-carboxamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-2-3-11-30-18-9-7-16(8-10-18)19-13-20(24-23-19)21(27)25-22-14-15-5-4-6-17(12-15)26(28)29/h4-10,12-14H,2-3,11H2,1H3,(H,23,24)(H,25,27)/b22-14+