3-(2-chloranyl-6-nitro-4-oxidanylidene-1H-quinazolin-8-yl)propanoic acid

Systemtic Name: 3-(2-chloranyl-6-nitro-4-oxidanylidene-1H-quinazolin-8-yl)propanoic acid Openeye Name: 3-(2-chloro-6-nitro-4-oxo-1H-quinazolin-8-yl)propanoic acid CAS Name: 3-(2-chloro-6-nitro-4-oxo-1H-quinazolin-8-yl)propanoic acid IUPAC Name: 3-(2-chloro-6-nitro-4-oxo-1H-quinazolin-8-yl)propanoic acid Traditional Name: 3-(2-chloro-4-keto-6-nitro-1H-quinazolin-8-yl)propionic acid Formula: C11H8ClN3O5 MolecularWeight: 297.65132

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1CCC(=O)O)NC(=NC2=O)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C2C(=C1CCC(=O)O)NC(=NC2=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H8ClN3O5/c12-11-13-9-5(1-2-8(16)17)3-6(15(19)20)4-7(9)10(18)14-11/h3-4H,1-2H2,(H,16,17)(H,13,14,18)