2-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-1-oxidanylidene-phthalazin-2-yl]ethanoic acid

Systemtic Name: 2-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-1-oxidanylidene-phthalazin-2-yl]ethanoic acid Openeye Name: 2-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-1-oxo-phthalazin-2-yl]acetic acid CAS Name: 2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-1-oxo-2-phthalazinyl]acetic acid IUPAC Name: 2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-1-oxophthalazin-2-yl]acetic acid Traditional Name: 2-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-1-keto-phthalazin-2-yl]acetic acid Formula: C19H15ClN4O4 MolecularWeight: 398.7998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN(C(=O)C3=C2C=C(C=C3)C#N)CC(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN(C(=O)C3=C2C=C(C=C3)C#N)CC(=O)O)Cl

InChI

InChI=1S/C19H15ClN4O4/c1-28-16-5-3-12(7-15(16)20)9-22-18-14-6-11(8-21)2-4-13(14)19(27)24(23-18)10-17(25)26/h2-7H,9-10H2,1H3,(H,22,23)(H,25,26)