N-[(E)-(3-nitrophenyl)methylideneamino]-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(E)-(3-nitrophenyl)methylideneamino]-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-isopropoxyphenyl)-N-[(E)-(3-nitrophenyl)methyleneamino]-1H-pyrazole-5-carboxamide CAS Name: N-[(E)-(3-nitrophenyl)methylideneamino]-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-(3-nitrophenyl)methylideneamino]-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-isopropoxyphenyl)-N-[(E)-(3-nitrobenzylidene)amino]-1H-pyrazole-5-carboxamide Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4/c1-13(2)29-17-8-6-15(7-9-17)18-11-19(23-22-18)20(26)24-21-12-14-4-3-5-16(10-14)25(27)28/h3-13H,1-2H3,(H,22,23)(H,24,26)/b21-12+