1-(3-nitrophenyl)-N-[3-oxidanylidene-3-(pyridin-2-ylamino)propyl]pyrazole-3-carboxamide

Systemtic Name: 1-(3-nitrophenyl)-N-[3-oxidanylidene-3-(pyridin-2-ylamino)propyl]pyrazole-3-carboxamide Openeye Name: 1-(3-nitrophenyl)-N-[3-oxo-3-(2-pyridylamino)propyl]pyrazole-3-carboxamide CAS Name: 1-(3-nitrophenyl)-N-[3-oxo-3-(2-pyridinylamino)propyl]-3-pyrazolecarboxamide IUPAC Name: 1-(3-nitrophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazole-3-carboxamide Traditional Name: N-[3-keto-3-(2-pyridylamino)propyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C18H16N6O4 MolecularWeight: 380.35744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC(=O)CCNC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)NC(=O)CCNC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O4/c25-17(21-16-6-1-2-9-19-16)7-10-20-18(26)15-8-11-23(22-15)13-4-3-5-14(12-13)24(27)28/h1-6,8-9,11-12H,7,10H2,(H,20,26)(H,19,21,25)