2-[[(Z)-2-benzamido-3-[(6-chloranylpyridazin-3-yl)amino]prop-2-enoyl]amino]propanoic acid

Systemtic Name: 2-[[(Z)-2-benzamido-3-[(6-chloranylpyridazin-3-yl)amino]prop-2-enoyl]amino]propanoic acid Openeye Name: 2-[[(Z)-2-benzamido-3-[(6-chloropyridazin-3-yl)amino]prop-2-enoyl]amino]propanoic acid CAS Name: 2-[[(Z)-2-benzamido-3-[(6-chloro-3-pyridazinyl)amino]-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: 2-[[(Z)-2-benzamido-3-[(6-chloropyridazin-3-yl)amino]prop-2-enoyl]amino]propanoic acid Traditional Name: 2-[[(Z)-2-benzamido-3-[(6-chloropyridazin-3-yl)amino]acryloyl]amino]propionic acid Formula: C17H16ClN5O4 MolecularWeight: 389.79304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(=CNC1=NN=C(C=C1)Cl)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)NC(=O)/C(=C/NC1=NN=C(C=C1)Cl)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H16ClN5O4/c1-10(17(26)27)20-16(25)12(9-19-14-8-7-13(18)22-23-14)21-15(24)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,23)(H,20,25)(H,21,24)(H,26,27)/b12-9-