4-chloranyl-2-[(4-ethoxy-4-oxidanylidene-butyl)iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[(4-ethoxy-4-oxidanylidene-butyl)iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[(4-ethoxy-4-oxo-butyl)iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[(4-ethoxy-4-oxobutyl)iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[(4-ethoxy-4-oxobutyl)iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[(4-ethoxy-4-keto-butyl)iminomethyl]-6-nitro-phenolate Formula: C13H14ClN2O5- MolecularWeight: 313.71366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN=CC1=CC(=CC(=C1[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)CCCN=CC1=CC(=CC(=C1[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C13H15ClN2O5/c1-2-21-12(17)4-3-5-15-8-9-6-10(14)7-11(13(9)18)16(19)20/h6-8,18H,2-5H2,1H3/p-1