ethyl (E)-3-[(6-chloranylpyridin-3-yl)methylamino]-2-cyano-3-(propylamino)prop-2-enoate

Systemtic Name: ethyl (E)-3-[(6-chloranylpyridin-3-yl)methylamino]-2-cyano-3-(propylamino)prop-2-enoate Openeye Name: ethyl (E)-3-[(6-chloro-3-pyridyl)methylamino]-2-cyano-3-(propylamino)prop-2-enoate CAS Name: (E)-3-[(6-chloro-3-pyridinyl)methylamino]-2-cyano-3-(propylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(6-chloropyridin-3-yl)methylamino]-2-cyano-3-(propylamino)prop-2-enoate Traditional Name: (E)-3-[(6-chloro-3-pyridyl)methylamino]-2-cyano-3-(propylamino)acrylic acid ethyl ester Formula: C15H19ClN4O2 MolecularWeight: 322.78996

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=C(C#N)C(=O)OCC)NCC1=CN=C(C=C1)Cl

Isomeric SMILES

CCCN/C(=C(/C#N)\C(=O)OCC)/NCC1=CN=C(C=C1)Cl

InChI

InChI=1S/C15H19ClN4O2/c1-3-7-18-14(12(8-17)15(21)22-4-2)20-10-11-5-6-13(16)19-9-11/h5-6,9,18,20H,3-4,7,10H2,1-2H3/b14-12+