[2-[2-(4-aminocarbonyl-3-nitro-pyrazol-1-yl)ethyl]phenyl] hydrogen carbonate

Systemtic Name: [2-[2-(4-aminocarbonyl-3-nitro-pyrazol-1-yl)ethyl]phenyl] hydrogen carbonate Openeye Name: [2-[2-(4-carbamoyl-3-nitro-pyrazol-1-yl)ethyl]phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[2-(4-carbamoyl-3-nitro-1-pyrazolyl)ethyl]phenyl] ester IUPAC Name: [2-[2-(4-carbamoyl-3-nitropyrazol-1-yl)ethyl]phenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[2-(4-carbamoyl-3-nitro-pyrazol-1-yl)ethyl]phenyl] ester Formula: C13H12N4O6 MolecularWeight: 320.25758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCN2C=C(C(=N2)[N+](=O)[O-])C(=O)N)OC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CCN2C=C(C(=N2)[N+](=O)[O-])C(=O)N)OC(=O)O

InChI

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