2-(2,6-dimethylphenoxy)ethyl 4-azanyl-3-nitro-benzoate

Systemtic Name: 2-(2,6-dimethylphenoxy)ethyl 4-azanyl-3-nitro-benzoate Openeye Name: 2-(2,6-dimethylphenoxy)ethyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid 2-(2,6-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,6-dimethylphenoxy)ethyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-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=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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