3-[2-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(9,10-dioxo-2-anthryl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(9,10-dioxo-2-anthracenyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[(9,10-diketo-2-anthryl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C25H15N3O6 MolecularWeight: 453.4031

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)O

InChI

InChI=1S/C25H15N3O6/c29-20(12-28-24(32)18-8-4-1-5-14(18)21(27-28)25(33)34)26-13-9-10-17-19(11-13)23(31)16-7-3-2-6-15(16)22(17)30/h1-11H,12H2,(H,26,29)(H,33,34)