2-methyl-6-[[(4-nitrophenyl)-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-methyl-6-[[(4-nitrophenyl)-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-methyl-6-[(4-nitro-N-prop-2-ynyl-anilino)methyl]-1H-quinazolin-4-one CAS Name: 2-methyl-6-[(4-nitro-N-prop-2-ynylanilino)methyl]-1H-quinazolin-4-one IUPAC Name: 2-methyl-6-[(4-nitro-N-prop-2-ynylanilino)methyl]-1H-quinazolin-4-one Traditional Name: 2-methyl-6-[(4-nitro-N-propargyl-anilino)methyl]-1H-quinazolin-4-one Formula: C19H16N4O3 MolecularWeight: 348.35534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O3/c1-3-10-22(15-5-7-16(8-6-15)23(25)26)12-14-4-9-18-17(11-14)19(24)21-13(2)20-18/h1,4-9,11H,10,12H2,2H3,(H,20,21,24)