4-nitro-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propyliminomethyl]phenolate

Systemtic Name: 4-nitro-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propyliminomethyl]phenolate Openeye Name: 4-nitro-2-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]phenolate CAS Name: 4-nitro-2-[3-(2-oxo-1-pyrrolidinyl)propyliminomethyl]phenolate IUPAC Name: 4-nitro-2-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]phenolate Traditional Name: 2-[3-(2-ketopyrrolidino)propyliminomethyl]-4-nitro-phenolate Formula: C14H16N3O4- MolecularWeight: 290.29454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O4/c18-13-5-4-12(17(20)21)9-11(13)10-15-6-2-8-16-7-1-3-14(16)19/h4-5,9-10,18H,1-3,6-8H2/p-1