[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 5-nitrofuran-2-carboxylate

Systemtic Name: [3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 5-nitrofuran-2-carboxylate Openeye Name: [3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]methyl 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C16H12N4O7 MolecularWeight: 372.28908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC=C(O3)[N+](=O)[O-])CC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC=C(O3)[N+](=O)[O-])CC(=O)N

InChI

InChI=1S/C16H12N4O7/c17-12(21)7-19-13(18-10-4-2-1-3-9(10)15(19)22)8-26-16(23)11-5-6-14(27-11)20(24)25/h1-6H,7-8H2,(H2,17,21)