N-[(E)-1-(furan-2-yl)ethylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(E)-1-(furan-2-yl)ethylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-1-(2-furyl)ethylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide CAS Name: N-[(E)-1-(2-furanyl)ethylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-1-(furan-2-yl)ethylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-[(E)-1-(2-furyl)ethylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide Formula: C16H13N5O4 MolecularWeight: 339.30552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=NN1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

C/C(=N\NC(=O)C1=CC(=NN1)C2=CC(=CC=C2)[N+](=O)[O-])/C3=CC=CO3

InChI

InChI=1S/C16H13N5O4/c1-10(15-6-3-7-25-15)17-20-16(22)14-9-13(18-19-14)11-4-2-5-12(8-11)21(23)24/h2-9H,1H3,(H,18,19)(H,20,22)/b17-10+