(Z)-2-[2-(1-azanyl-1-phenyl-ethyl)-1H-pyridazin-3-yl]but-2-enedioate

Systemtic Name: (Z)-2-[2-(1-azanyl-1-phenyl-ethyl)-1H-pyridazin-3-yl]but-2-enedioate Openeye Name: (Z)-2-[2-(1-amino-1-phenyl-ethyl)-1H-pyridazin-3-yl]but-2-enedioate CAS Name: (Z)-2-[2-(1-amino-1-phenylethyl)-1H-pyridazin-3-yl]-2-butenedioate IUPAC Name: (Z)-2-[2-(1-amino-1-phenylethyl)-1H-pyridazin-3-yl]but-2-enedioate Traditional Name: (Z)-2-[2-(1-amino-1-phenyl-ethyl)-1H-pyridazin-3-yl]but-2-enedioate Formula: C16H15N3O4-2 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(N)N2C(=CC=CN2)C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)(N)N2C(=CC=CN2)/C(=C/C(=O)[O-])/C(=O)[O-]

InChI

InChI=1S/C16H17N3O4/c1-16(17,11-6-3-2-4-7-11)19-13(8-5-9-18-19)12(15(22)23)10-14(20)21/h2-10,18H,17H2,1H3,(H,20,21)(H,22,23)/p-2/b12-10-