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

Systemtic Name: [1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-3-carboxylate Openeye Name: 1-[(4-carbamoylphenyl)carbamoyl]propyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [1-(4-carbamoylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-carbamoylanilino)-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid 1-[(4-carbamoylphenyl)carbamoyl]propyl ester Formula: C17H16ClN3O4 MolecularWeight: 361.77964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O4/c1-2-13(25-17(24)12-4-3-9-20-14(12)18)16(23)21-11-7-5-10(6-8-11)15(19)22/h3-9,13H,2H2,1H3,(H2,19,22)(H,21,23)