3-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(1-naphthylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(1-naphthalenylamino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(1-naphthylamino)ethyl]phthalazine-1-carboxylic acid Formula: C21H15N3O4 MolecularWeight: 373.3615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C21H15N3O4/c25-18(22-17-11-5-7-13-6-1-2-8-14(13)17)12-24-20(26)16-10-4-3-9-15(16)19(23-24)21(27)28/h1-11H,12H2,(H,22,25)(H,27,28)