[4-chloranyl-5-methyl-2-[[3-oxidanylidene-3-(3-pyrazin-2-ylphenyl)propanoyl]amino]phenyl]carbamic acid

Systemtic Name: [4-chloranyl-5-methyl-2-[[3-oxidanylidene-3-(3-pyrazin-2-ylphenyl)propanoyl]amino]phenyl]carbamic acid Openeye Name: [4-chloro-5-methyl-2-[[3-oxo-3-(3-pyrazin-2-ylphenyl)propanoyl]amino]phenyl]carbamic acid CAS Name: [4-chloro-2-[[1,3-dioxo-3-[3-(2-pyrazinyl)phenyl]propyl]amino]-5-methylphenyl]carbamic acid IUPAC Name: [4-chloro-5-methyl-2-[[3-oxo-3-(3-pyrazin-2-ylphenyl)propanoyl]amino]phenyl]carbamic acid Traditional Name: [4-chloro-2-[[3-keto-3-(3-pyrazin-2-ylphenyl)propanoyl]amino]-5-methyl-phenyl]carbamic acid Formula: C21H17ClN4O4 MolecularWeight: 424.83708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)NC(=O)CC(=O)C2=CC=CC(=C2)C3=NC=CN=C3)NC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)NC(=O)CC(=O)C2=CC=CC(=C2)C3=NC=CN=C3)NC(=O)O

InChI

InChI=1S/C21H17ClN4O4/c1-12-7-16(26-21(29)30)17(9-15(12)22)25-20(28)10-19(27)14-4-2-3-13(8-14)18-11-23-5-6-24-18/h2-9,11,26H,10H2,1H3,(H,25,28)(H,29,30)