5-(6-nitro-4-oxidanylidene-quinazolin-3-yl)pentanoic acid

Systemtic Name: 5-(6-nitro-4-oxidanylidene-quinazolin-3-yl)pentanoic acid Openeye Name: 5-(6-nitro-4-oxo-quinazolin-3-yl)pentanoic acid CAS Name: 5-(6-nitro-4-oxo-3-quinazolinyl)pentanoic acid IUPAC Name: 5-(6-nitro-4-oxoquinazolin-3-yl)pentanoic acid Traditional Name: 5-(4-keto-6-nitro-quinazolin-3-yl)valeric acid Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C=N2)CCCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C=N2)CCCCC(=O)O

InChI

InChI=1S/C13H13N3O5/c17-12(18)3-1-2-6-15-8-14-11-5-4-9(16(20)21)7-10(11)13(15)19/h4-5,7-8H,1-3,6H2,(H,17,18)