1-[3-[3-[1-(3-nitropyridin-2-yl)piperidin-4-ylidene]prop-1-ynyl]phenyl]ethanone

Systemtic Name: 1-[3-[3-[1-(3-nitropyridin-2-yl)piperidin-4-ylidene]prop-1-ynyl]phenyl]ethanone Openeye Name: 1-[3-[3-[1-(3-nitro-2-pyridyl)-4-piperidylidene]prop-1-ynyl]phenyl]ethanone CAS Name: 1-[3-[3-[1-(3-nitro-2-pyridinyl)-4-piperidinylidene]prop-1-ynyl]phenyl]ethanone IUPAC Name: 1-[3-[3-[1-(3-nitropyridin-2-yl)piperidin-4-ylidene]prop-1-ynyl]phenyl]ethanone Traditional Name: 1-[3-[3-[1-(3-nitro-2-pyridyl)-4-piperidylidene]prop-1-ynyl]phenyl]ethanone Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC(=C1)C#CC=C2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=CC(=C1)C#CC=C2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O3/c1-16(25)19-8-3-7-18(15-19)6-2-5-17-10-13-23(14-11-17)21-20(24(26)27)9-4-12-22-21/h3-5,7-9,12,15H,10-11,13-14H2,1H3