(Z)-2-[2-(1-azanylethyl)-4-phenyl-1H-pyridazin-3-yl]but-2-enedioate

Systemtic Name: (Z)-2-[2-(1-azanylethyl)-4-phenyl-1H-pyridazin-3-yl]but-2-enedioate Openeye Name: (Z)-2-[2-(1-aminoethyl)-4-phenyl-1H-pyridazin-3-yl]but-2-enedioate CAS Name: (Z)-2-[2-(1-aminoethyl)-4-phenyl-1H-pyridazin-3-yl]-2-butenedioate IUPAC Name: (Z)-2-[2-(1-aminoethyl)-4-phenyl-1H-pyridazin-3-yl]but-2-enedioate Traditional Name: (Z)-2-[2-(1-aminoethyl)-4-phenyl-1H-pyridazin-3-yl]but-2-enedioate Formula: C16H15N3O4-2 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

CC(N)N1C(=C(C=CN1)C2=CC=CC=C2)C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(N)N1C(=C(C=CN1)C2=CC=CC=C2)/C(=C/C(=O)[O-])/C(=O)[O-]

InChI

InChI=1S/C16H17N3O4/c1-10(17)19-15(13(16(22)23)9-14(20)21)12(7-8-18-19)11-5-3-2-4-6-11/h2-10,18H,17H2,1H3,(H,20,21)(H,22,23)/p-2/b13-9-