ethyl 5-azanyl-1-[4-(furan-2-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-(furan-2-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-(2-furylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(2-furanylmethylamino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(furan-2-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(2-furfurylcarbamoyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C18H18N4O4 MolecularWeight: 354.35992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=CC=CO3)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=CC=CO3)N

InChI

InChI=1S/C18H18N4O4/c1-2-25-18(24)15-11-21-22(16(15)19)13-7-5-12(6-8-13)17(23)20-10-14-4-3-9-26-14/h3-9,11H,2,10,19H2,1H3,(H,20,23)