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

Systemtic Name: 2-(4-aminocarbonyl-3-nitro-pyrazol-1-yl)ethyl 3-chloranylbenzoate Openeye Name: 2-(4-carbamoyl-3-nitro-pyrazol-1-yl)ethyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid 2-(4-carbamoyl-3-nitro-1-pyrazolyl)ethyl ester IUPAC Name: 2-(4-carbamoyl-3-nitropyrazol-1-yl)ethyl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid 2-(4-carbamoyl-3-nitro-pyrazol-1-yl)ethyl ester Formula: C13H11ClN4O5 MolecularWeight: 338.70324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN4O5/c14-9-3-1-2-8(6-9)13(20)23-5-4-17-7-10(11(15)19)12(16-17)18(21)22/h1-3,6-7H,4-5H2,(H2,15,19)