[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-3-carboxylate Openeye Name: 1-[(2-methyl-5-nitro-phenyl)carbamoyl]propyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [1-(2-methyl-5-nitroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-methyl-5-nitroanilino)-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid 1-[(2-methyl-5-nitro-phenyl)carbamoyl]propyl ester Formula: C17H16ClN3O5 MolecularWeight: 377.77904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)OC(=O)C2=C(N=CC=C2)Cl

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)OC(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C17H16ClN3O5/c1-3-14(26-17(23)12-5-4-8-19-15(12)18)16(22)20-13-9-11(21(24)25)7-6-10(13)2/h4-9,14H,3H2,1-2H3,(H,20,22)