3-[2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(N-(3-amino-3-oxo-propyl)anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(N-(3-amino-3-keto-propyl)anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC(=O)N)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(CCC(=O)N)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C20H18N4O5/c21-16(25)10-11-23(13-6-2-1-3-7-13)17(26)12-24-19(27)15-9-5-4-8-14(15)18(22-24)20(28)29/h1-9H,10-12H2,(H2,21,25)(H,28,29)