4-(3-azanyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-5-ium-2-yl)benzoate

Systemtic Name: 4-(3-azanyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-5-ium-2-yl)benzoate Openeye Name: 4-(3-amino-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-5-ium-2-yl)benzoate CAS Name: 4-(3-amino-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-5-ium-2-yl)benzoate IUPAC Name: 4-(3-amino-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-5-ium-2-yl)benzoate Traditional Name: 4-(3-amino-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-5-ium-2-yl)benzoate Formula: C12H12N4O2 MolecularWeight: 244.24928

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(N(N=C2C[NH2+]1)C3=CC=C(C=C3)C(=O)[O-])N

Isomeric SMILES

C1C2=C(N(N=C2C[NH2+]1)C3=CC=C(C=C3)C(=O)[O-])N

InChI

InChI=1S/C12H12N4O2/c13-11-9-5-14-6-10(9)15-16(11)8-3-1-7(2-4-8)12(17)18/h1-4,14H,5-6,13H2,(H,17,18)