4-chloranyl-2-nitro-6-(3-propan-2-yloxypropyliminomethyl)phenolate

Systemtic Name: 4-chloranyl-2-nitro-6-(3-propan-2-yloxypropyliminomethyl)phenolate Openeye Name: 4-chloro-2-(3-isopropoxypropyliminomethyl)-6-nitro-phenolate CAS Name: 4-chloro-2-nitro-6-(3-propan-2-yloxypropyliminomethyl)phenolate IUPAC Name: 4-chloro-2-nitro-6-(3-propan-2-yloxypropyliminomethyl)phenolate Traditional Name: 4-chloro-2-(3-isopropoxypropyliminomethyl)-6-nitro-phenolate Formula: C13H16ClN2O4- MolecularWeight: 299.73014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN=CC1=CC(=CC(=C1[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)OCCCN=CC1=CC(=CC(=C1[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C13H17ClN2O4/c1-9(2)20-5-3-4-15-8-10-6-11(14)7-12(13(10)17)16(18)19/h6-9,17H,3-5H2,1-2H3/p-1