3-(6,7-dimethoxy-4-methyl-5-nitro-2-oxidanylidene-quinazolin-1-yl)propanoic acid

Systemtic Name: 3-(6,7-dimethoxy-4-methyl-5-nitro-2-oxidanylidene-quinazolin-1-yl)propanoic acid Openeye Name: 3-(6,7-dimethoxy-4-methyl-5-nitro-2-oxo-quinazolin-1-yl)propanoic acid CAS Name: 3-(6,7-dimethoxy-4-methyl-5-nitro-2-oxo-1-quinazolinyl)propanoic acid IUPAC Name: 3-(6,7-dimethoxy-4-methyl-5-nitro-2-oxoquinazolin-1-yl)propanoic acid Traditional Name: 3-(2-keto-6,7-dimethoxy-4-methyl-5-nitro-quinazolin-1-yl)propionic acid Formula: C14H15N3O7 MolecularWeight: 337.2848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)N(C2=CC(=C(C(=C12)[N+](=O)[O-])OC)OC)CCC(=O)O

Isomeric SMILES

CC1=NC(=O)N(C2=CC(=C(C(=C12)[N+](=O)[O-])OC)OC)CCC(=O)O

InChI

InChI=1S/C14H15N3O7/c1-7-11-8(16(14(20)15-7)5-4-10(18)19)6-9(23-2)13(24-3)12(11)17(21)22/h6H,4-5H2,1-3H3,(H,18,19)