6-chloranyl-4-cyclopropyl-4-[2-(4-nitropyridin-2-yl)ethynyl]-1,3-dihydroquinazolin-2-one

Systemtic Name: 6-chloranyl-4-cyclopropyl-4-[2-(4-nitropyridin-2-yl)ethynyl]-1,3-dihydroquinazolin-2-one Openeye Name: 6-chloro-4-cyclopropyl-4-[2-(4-nitro-2-pyridyl)ethynyl]-1,3-dihydroquinazolin-2-one CAS Name: 6-chloro-4-cyclopropyl-4-[2-(4-nitro-2-pyridinyl)ethynyl]-1,3-dihydroquinazolin-2-one IUPAC Name: 6-chloro-4-cyclopropyl-4-[2-(4-nitropyridin-2-yl)ethynyl]-1,3-dihydroquinazolin-2-one Traditional Name: 6-chloro-4-cyclopropyl-4-[2-(4-nitro-2-pyridyl)ethynyl]-1,3-dihydroquinazolin-2-one Formula: C18H13ClN4O3 MolecularWeight: 368.77382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2(C3=C(C=CC(=C3)Cl)NC(=O)N2)C#CC4=NC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2(C3=C(C=CC(=C3)Cl)NC(=O)N2)C#CC4=NC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN4O3/c19-12-3-4-16-15(9-12)18(11-1-2-11,22-17(24)21-16)7-5-13-10-14(23(25)26)6-8-20-13/h3-4,6,8-11H,1-2H2,(H2,21,22,24)