3-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(3-methoxyanilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(3-methoxyanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(3-methoxyanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(m-anisidino)ethyl]phthalazine-1-carboxylate Formula: C18H14N3O5- MolecularWeight: 352.32086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C18H15N3O5/c1-26-12-6-4-5-11(9-12)19-15(22)10-21-17(23)14-8-3-2-7-13(14)16(20-21)18(24)25/h2-9H,10H2,1H3,(H,19,22)(H,24,25)/p-1