4-[[azanyl-[(4-oxidanylidene-1H-quinazolin-2-yl)amino]methylidene]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[[azanyl-[(4-oxidanylidene-1H-quinazolin-2-yl)amino]methylidene]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[[amino-[(4-oxo-1H-quinazolin-2-yl)amino]methylene]amino]-4-oxo-but-2-enoic acid CAS Name: 4-[[amino-[(4-oxo-1H-quinazolin-2-yl)amino]methylidene]amino]-4-oxo-2-butenoic acid IUPAC Name: 4-[[amino-[(4-oxo-1H-quinazolin-2-yl)amino]methylidene]amino]-4-oxobut-2-enoic acid Traditional Name: 4-[[amino-[(4-keto-1H-quinazolin-2-yl)amino]methylene]amino]-4-keto-but-2-enoic acid Formula: C13H11N5O4 MolecularWeight: 301.25754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O4/c14-12(16-9(19)5-6-10(20)21)18-13-15-8-4-2-1-3-7(8)11(22)17-13/h1-6H,(H,20,21)(H4,14,15,16,17,18,19,22)