2-nitro-4-[(Z)-(2-pyrrolidin-1-ium-1-ylethanoylhydrazinylidene)methyl]phenolate

Systemtic Name: 2-nitro-4-[(Z)-(2-pyrrolidin-1-ium-1-ylethanoylhydrazinylidene)methyl]phenolate Openeye Name: 2-nitro-4-[(Z)-[(2-pyrrolidin-1-ium-1-ylacetyl)hydrazono]methyl]phenolate CAS Name: 2-nitro-4-[(Z)-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-nitro-4-[(Z)-[(2-pyrrolidin-1-ium-1-ylacetyl)hydrazinylidene]methyl]phenolate Traditional Name: 2-nitro-4-[(Z)-[(2-pyrrolidin-1-ium-1-ylacetyl)hydrazono]methyl]phenolate Formula: C13H16N4O4 MolecularWeight: 292.29054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)NN=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC(=O)N/N=C\C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O4/c18-12-4-3-10(7-11(12)17(20)21)8-14-15-13(19)9-16-5-1-2-6-16/h3-4,7-8,18H,1-2,5-6,9H2,(H,15,19)/b14-8-