5-(quinazolin-4-ylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(quinazolin-4-ylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-(quinazolin-4-ylamino)benzene-1,3-dicarboxylic acid CAS Name: 5-(4-quinazolinylamino)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(quinazolin-4-ylamino)benzene-1,3-dicarboxylic acid Traditional Name: 5-(quinazolin-4-ylamino)isophthalic acid Formula: C16H11N3O4 MolecularWeight: 309.27624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C16H11N3O4/c20-15(21)9-5-10(16(22)23)7-11(6-9)19-14-12-3-1-2-4-13(12)17-8-18-14/h1-8H,(H,20,21)(H,22,23)(H,17,18,19)