2-[[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[4-(4-chloro-2-methyl-phenoxy)butanoylamino]methyl]-4-nitro-phenolate CAS Name: 2-[[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[4-(4-chloro-2-methylphenoxy)butanoylamino]methyl]-4-nitrophenolate Traditional Name: 2-[[4-(4-chloro-2-methyl-phenoxy)butanoylamino]methyl]-4-nitro-phenolate Formula: C18H18ClN2O5- MolecularWeight: 377.79892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H19ClN2O5/c1-12-9-14(19)4-7-17(12)26-8-2-3-18(23)20-11-13-10-15(21(24)25)5-6-16(13)22/h4-7,9-10,22H,2-3,8,11H2,1H3,(H,20,23)/p-1