methyl 4-azanyl-3-(2-oxidanylideneazepan-3-yl)oxy-benzoate

Systemtic Name: methyl 4-azanyl-3-(2-oxidanylideneazepan-3-yl)oxy-benzoate Openeye Name: methyl 4-amino-3-(2-oxoazepan-3-yl)oxy-benzoate CAS Name: 4-amino-3-[(2-oxo-3-azepanyl)oxy]benzoic acid methyl ester IUPAC Name: methyl 4-amino-3-(2-oxoazepan-3-yl)oxybenzoate Traditional Name: 4-amino-3-(2-ketoazepan-3-yl)oxy-benzoic acid methyl ester Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N)OC2CCCCNC2=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N)OC2CCCCNC2=O

InChI

InChI=1S/C14H18N2O4/c1-19-14(18)9-5-6-10(15)12(8-9)20-11-4-2-3-7-16-13(11)17/h5-6,8,11H,2-4,7,15H2,1H3,(H,16,17)