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

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

C1=CC=C(C=C1)C(=O)NC(=CNC2=NN=C(C=C2)Cl)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C\NC2=NN=C(C=C2)Cl)/C(=O)NCCC(=O)O

InChI

InChI=1S/C17H16ClN5O4/c18-13-6-7-14(23-22-13)20-10-12(17(27)19-9-8-15(24)25)21-16(26)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,27)(H,20,23)(H,21,26)(H,24,25)/b12-10-