2-(4-aminocarbonyl-3-nitro-pyrazol-1-yl)ethyl 4-oxidanylbenzoate

Systemtic Name: 2-(4-aminocarbonyl-3-nitro-pyrazol-1-yl)ethyl 4-oxidanylbenzoate Openeye Name: 2-(4-carbamoyl-3-nitro-pyrazol-1-yl)ethyl 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid 2-(4-carbamoyl-3-nitro-1-pyrazolyl)ethyl ester IUPAC Name: 2-(4-carbamoyl-3-nitropyrazol-1-yl)ethyl 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid 2-(4-carbamoyl-3-nitro-pyrazol-1-yl)ethyl ester Formula: C13H12N4O6 MolecularWeight: 320.25758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCN2C=C(C(=N2)[N+](=O)[O-])C(=O)N)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCN2C=C(C(=N2)[N+](=O)[O-])C(=O)N)O

InChI

InChI=1S/C13H12N4O6/c14-11(19)10-7-16(15-12(10)17(21)22)5-6-23-13(20)8-1-3-9(18)4-2-8/h1-4,7,18H,5-6H2,(H2,14,19)