7-[(2-nitrophenyl)amino]-1-pyridin-4-yl-hept-1-yn-3-one

Systemtic Name: 7-[(2-nitrophenyl)amino]-1-pyridin-4-yl-hept-1-yn-3-one Openeye Name: 7-(2-nitroanilino)-1-(4-pyridyl)hept-1-yn-3-one CAS Name: 7-(2-nitroanilino)-1-pyridin-4-yl-1-heptyn-3-one IUPAC Name: 7-(2-nitroanilino)-1-pyridin-4-ylhept-1-yn-3-one Traditional Name: 7-(2-nitroanilino)-1-(4-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=NC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NCCCCC(=O)C#CC2=CC=NC=C2)[N+](=O)[O-]

InChI

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