4-nitro-2-[[N'-(4-oxidanylidene-1H-quinazolin-2-yl)carbamimidoyl]iminomethyl]phenolate

Systemtic Name: 4-nitro-2-[[N'-(4-oxidanylidene-1H-quinazolin-2-yl)carbamimidoyl]iminomethyl]phenolate Openeye Name: 4-nitro-2-[[N'-(4-oxo-1H-quinazolin-2-yl)carbamimidoyl]iminomethyl]phenolate CAS Name: 2-[[amino-[(4-oxo-1H-quinazolin-2-yl)imino]methyl]iminomethyl]-4-nitrophenolate IUPAC Name: 4-nitro-2-[[N'-(4-oxo-1H-quinazolin-2-yl)carbamimidoyl]iminomethyl]phenolate Traditional Name: 2-[[N'-(4-keto-1H-quinazolin-2-yl)amidino]iminomethyl]-4-nitro-phenolate Formula: C16H11N6O4- MolecularWeight: 351.29634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)N=C(N)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)N=C(N)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H12N6O4/c17-15(18-8-9-7-10(22(25)26)5-6-13(9)23)21-16-19-12-4-2-1-3-11(12)14(24)20-16/h1-8,23H,(H3,17,19,20,21,24)/p-1