2-(2,6-dimethylphenoxy)ethyl 2-azanyl-5-nitro-benzoate

Systemtic Name: 2-(2,6-dimethylphenoxy)ethyl 2-azanyl-5-nitro-benzoate Openeye Name: 2-(2,6-dimethylphenoxy)ethyl 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid 2-(2,6-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,6-dimethylphenoxy)ethyl 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid 2-(2,6-dimethylphenoxy)ethyl ester Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

InChI

InChI=1S/C17H18N2O5/c1-11-4-3-5-12(2)16(11)23-8-9-24-17(20)14-10-13(19(21)22)6-7-15(14)18/h3-7,10H,8-9,18H2,1-2H3