2-[(2-ethoxycarbonylquinazolin-4-yl)amino]-4-nitro-phenolate

Systemtic Name: 2-[(2-ethoxycarbonylquinazolin-4-yl)amino]-4-nitro-phenolate Openeye Name: 2-[(2-ethoxycarbonylquinazolin-4-yl)amino]-4-nitro-phenolate CAS Name: 2-[(2-ethoxycarbonyl-4-quinazolinyl)amino]-4-nitrophenolate IUPAC Name: 2-[(2-ethoxycarbonylquinazolin-4-yl)amino]-4-nitrophenolate Traditional Name: 2-[(2-carbethoxyquinazolin-4-yl)amino]-4-nitro-phenolate Formula: C17H13N4O5- MolecularWeight: 353.30892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H14N4O5/c1-2-26-17(23)16-18-12-6-4-3-5-11(12)15(20-16)19-13-9-10(21(24)25)7-8-14(13)22/h3-9,22H,2H2,1H3,(H,18,19,20)/p-1