2-(quinazolin-4-ylamino)butanedioic acid

Systemtic Name: 2-(quinazolin-4-ylamino)butanedioic acid Openeye Name: 2-(quinazolin-4-ylamino)butanedioic acid CAS Name: 2-(4-quinazolinylamino)butanedioic acid IUPAC Name: 2-(quinazolin-4-ylamino)butanedioic acid Traditional Name: 2-(quinazolin-4-ylamino)succinic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C12H11N3O4/c16-10(17)5-9(12(18)19)15-11-7-3-1-2-4-8(7)13-6-14-11/h1-4,6,9H,5H2,(H,16,17)(H,18,19)(H,13,14,15)