4-nitro-2-[[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]methyl]phenolate

Systemtic Name: 4-nitro-2-[[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]methyl]phenolate Openeye Name: 4-nitro-2-[[[2-(4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenolate CAS Name: 4-nitro-2-[[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]methyl]phenolate IUPAC Name: 4-nitro-2-[[[2-(4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenolate Traditional Name: 2-[[[2-(4-ketoquinazolin-3-yl)acetyl]amino]methyl]-4-nitro-phenolate Formula: C17H13N4O5- MolecularWeight: 353.30892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H14N4O5/c22-15-6-5-12(21(25)26)7-11(15)8-18-16(23)9-20-10-19-14-4-2-1-3-13(14)17(20)24/h1-7,10,22H,8-9H2,(H,18,23)/p-1