7-[(2-nitrophenyl)amino]-1-pyridin-2-yl-hept-1-yn-3-one

Systemtic Name: 7-[(2-nitrophenyl)amino]-1-pyridin-2-yl-hept-1-yn-3-one Openeye Name: 7-(2-nitroanilino)-1-(2-pyridyl)hept-1-yn-3-one CAS Name: 7-(2-nitroanilino)-1-(2-pyridinyl)-1-heptyn-3-one IUPAC Name: 7-(2-nitroanilino)-1-pyridin-2-ylhept-1-yn-3-one Traditional Name: 7-(2-nitroanilino)-1-(2-pyridyl)hept-1-yn-3-one Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCCCCC(=O)C#CC2=CC=CC=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NCCCCC(=O)C#CC2=CC=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3/c22-16(12-11-15-7-3-5-13-19-15)8-4-6-14-20-17-9-1-2-10-18(17)21(23)24/h1-3,5,7,9-10,13,20H,4,6,8,14H2