2-[[(4-nitrophenyl)-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[(4-nitrophenyl)-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-nitro-N-prop-2-ynyl-anilino)methyl]-1H-quinazolin-4-one CAS Name: 2-[(4-nitro-N-prop-2-ynylanilino)methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-nitro-N-prop-2-ynylanilino)methyl]-1H-quinazolin-4-one Traditional Name: 2-[(4-nitro-N-propargyl-anilino)methyl]-1H-quinazolin-4-one Formula: C18H14N4O3 MolecularWeight: 334.32876

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=NC(=O)C2=CC=CC=C2N1)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C#CCN(CC1=NC(=O)C2=CC=CC=C2N1)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O3/c1-2-11-21(13-7-9-14(10-8-13)22(24)25)12-17-19-16-6-4-3-5-15(16)18(23)20-17/h1,3-10H,11-12H2,(H,19,20,23)