[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-3-carboxylate Openeye Name: 1-[(4-acetamidophenyl)carbamoyl]propyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [1-(4-acetamidoanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid 1-[(4-acetamidophenyl)carbamoyl]propyl ester Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=C(N=CC=C2)Cl

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C18H18ClN3O4/c1-3-15(26-18(25)14-5-4-10-20-16(14)19)17(24)22-13-8-6-12(7-9-13)21-11(2)23/h4-10,15H,3H2,1-2H3,(H,21,23)(H,22,24)