4-ethynyl-3-methyl-6-nitro-4-phenyl-1H-quinazolin-2-one

Systemtic Name: 4-ethynyl-3-methyl-6-nitro-4-phenyl-1H-quinazolin-2-one Openeye Name: 4-ethynyl-3-methyl-6-nitro-4-phenyl-1H-quinazolin-2-one CAS Name: 4-ethynyl-3-methyl-6-nitro-4-phenyl-1H-quinazolin-2-one IUPAC Name: 4-ethynyl-3-methyl-6-nitro-4-phenyl-1H-quinazolin-2-one Traditional Name: 4-ethynyl-3-methyl-6-nitro-4-phenyl-1H-quinazolin-2-one Formula: C17H13N3O3 MolecularWeight: 307.30342

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)NC2=C(C1(C#C)C3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)NC2=C(C1(C#C)C3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O3/c1-3-17(12-7-5-4-6-8-12)14-11-13(20(22)23)9-10-15(14)18-16(21)19(17)2/h1,4-11H,2H3,(H,18,21)