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

Systemtic Name: 3-[2-(butylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(butylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(butylamino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(butylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(butylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C15H16N3O4- MolecularWeight: 302.30524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

Isomeric SMILES

CCCCNC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

InChI

InChI=1S/C15H17N3O4/c1-2-3-8-16-12(19)9-18-14(20)11-7-5-4-6-10(11)13(17-18)15(21)22/h4-7H,2-3,8-9H2,1H3,(H,16,19)(H,21,22)/p-1