3-(3-azanyl-2-methyl-3-oxidanylidene-propyl)-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-(3-azanyl-2-methyl-3-oxidanylidene-propyl)-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-(3-amino-2-methyl-3-oxo-propyl)-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-(3-amino-2-methyl-3-oxopropyl)-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-(3-amino-2-methyl-3-oxopropyl)-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-(3-amino-3-keto-2-methyl-propyl)-4-keto-phthalazine-1-carboxylic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O)C(=O)N

Isomeric SMILES

CC(CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O)C(=O)N

InChI

InChI=1S/C13H13N3O4/c1-7(11(14)17)6-16-12(18)9-5-3-2-4-8(9)10(15-16)13(19)20/h2-5,7H,6H2,1H3,(H2,14,17)(H,19,20)