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

Systemtic Name: (Z)-2-[2-(1-azanylethyl)-4-phenyl-1H-pyridazin-3-yl]but-2-enedioic acid Openeye Name: (Z)-2-[2-(1-aminoethyl)-4-phenyl-1H-pyridazin-3-yl]but-2-enedioic acid CAS Name: (Z)-2-[2-(1-aminoethyl)-4-phenyl-1H-pyridazin-3-yl]-2-butenedioic acid IUPAC Name: (Z)-2-[2-(1-aminoethyl)-4-phenyl-1H-pyridazin-3-yl]but-2-enedioic acid Traditional Name: (Z)-2-[2-(1-aminoethyl)-4-phenyl-1H-pyridazin-3-yl]but-2-enedioic acid Formula: C16H17N3O4 MolecularWeight: 315.32388

Click to see the large picture

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)/b13-9-