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

Systemtic Name: 2-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-1-oxidanylidene-phthalazin-2-yl]ethanoic acid Openeye Name: 2-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-1-oxo-phthalazin-2-yl]acetic acid CAS Name: 2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-oxo-2-phthalazinyl]acetic acid IUPAC Name: 2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-oxophthalazin-2-yl]acetic acid Traditional Name: 2-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-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)[N+]#[C-])CC(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN(C(=O)C3=C2C=C(C=C3)[N+]#[C-])CC(=O)O)Cl

InChI

InChI=1S/C19H15ClN4O4/c1-21-12-4-5-13-14(8-12)18(23-24(19(13)27)10-17(25)26)22-9-11-3-6-16(28-2)15(20)7-11/h3-8H,9-10H2,2H3,(H,22,23)(H,25,26)