2-(3,5-dimethylphenoxy)ethyl 4-azanyl-3-nitro-benzoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 4-azanyl-3-nitro-benzoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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