N-[(E)-1-(3-nitrophenyl)ethylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(E)-1-(3-nitrophenyl)ethylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-1-(3-nitrophenyl)ethylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: N-[(E)-1-(3-nitrophenyl)ethylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-1-(3-nitrophenyl)ethylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-[(E)-1-(3-nitrophenyl)ethylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=C(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C(\C)/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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