(E)-3-(3-nitrophenyl)-1-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-nitrophenyl)-1-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-1-[2-(isopropylamino)pyridin-1-ium-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-3-(3-nitrophenyl)-1-[2-(propan-2-ylamino)-1-pyridin-1-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(3-nitrophenyl)-1-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-1-[2-(isopropylamino)pyridin-1-ium-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Formula: C17H18N3O3+ MolecularWeight: 312.34312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CC=CC=[N+]1C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=CC=CC=[N+]1C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3/c1-13(2)18-16-8-3-4-11-19(16)17(21)10-9-14-6-5-7-15(12-14)20(22)23/h3-13H,1-2H3/p+1/b10-9+