methyl 4-[(3-chloranyl-5,6-dicyano-pyrazin-2-yl)methyl-ethanoyl-amino]benzoate

Systemtic Name: methyl 4-[(3-chloranyl-5,6-dicyano-pyrazin-2-yl)methyl-ethanoyl-amino]benzoate Openeye Name: methyl 4-[acetyl-[(3-chloro-5,6-dicyano-pyrazin-2-yl)methyl]amino]benzoate CAS Name: 4-[acetyl-[(3-chloro-5,6-dicyano-2-pyrazinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[acetyl-[(3-chloro-5,6-dicyanopyrazin-2-yl)methyl]amino]benzoate Traditional Name: 4-[acetyl-[(3-chloro-5,6-dicyano-pyrazin-2-yl)methyl]amino]benzoic acid methyl ester Formula: C17H12ClN5O3 MolecularWeight: 369.76188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=NC(=C(N=C1Cl)C#N)C#N)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)N(CC1=NC(=C(N=C1Cl)C#N)C#N)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H12ClN5O3/c1-10(24)23(12-5-3-11(4-6-12)17(25)26-2)9-15-16(18)22-14(8-20)13(7-19)21-15/h3-6H,9H2,1-2H3