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

Systemtic Name: 2-(4-aminocarbonyl-3-nitro-pyrazol-1-yl)ethyl benzoate Openeye Name: 2-(4-carbamoyl-3-nitro-pyrazol-1-yl)ethyl benzoate CAS Name: benzoic acid 2-(4-carbamoyl-3-nitro-1-pyrazolyl)ethyl ester IUPAC Name: 2-(4-carbamoyl-3-nitropyrazol-1-yl)ethyl benzoate Traditional Name: benzoic acid 2-(4-carbamoyl-3-nitro-pyrazol-1-yl)ethyl ester Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O5/c14-11(18)10-8-16(15-12(10)17(20)21)6-7-22-13(19)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,18)