2-[(4-butoxycarbonylphenyl)iminomethyl]-4-chloranyl-3,5-dimethyl-6-nitro-phenolate

Systemtic Name: 2-[(4-butoxycarbonylphenyl)iminomethyl]-4-chloranyl-3,5-dimethyl-6-nitro-phenolate Openeye Name: 2-[(4-butoxycarbonylphenyl)iminomethyl]-4-chloro-3,5-dimethyl-6-nitro-phenolate CAS Name: 2-[[4-[butoxy(oxo)methyl]phenyl]iminomethyl]-4-chloro-3,5-dimethyl-6-nitrophenolate IUPAC Name: 2-[(4-butoxycarbonylphenyl)iminomethyl]-4-chloro-3,5-dimethyl-6-nitrophenolate Traditional Name: 2-[(4-butoxycarbonylphenyl)iminomethyl]-4-chloro-3,5-dimethyl-6-nitro-phenolate Formula: C20H20ClN2O5- MolecularWeight: 403.8362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N=CC2=C(C(=C(C(=C2[O-])[N+](=O)[O-])C)Cl)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N=CC2=C(C(=C(C(=C2[O-])[N+](=O)[O-])C)Cl)C

InChI

InChI=1S/C20H21ClN2O5/c1-4-5-10-28-20(25)14-6-8-15(9-7-14)22-11-16-12(2)17(21)13(3)18(19(16)24)23(26)27/h6-9,11,24H,4-5,10H2,1-3H3/p-1