2-(4-methylphenoxy)ethyl 3-methyl-2-nitro-benzoate

Systemtic Name: 2-(4-methylphenoxy)ethyl 3-methyl-2-nitro-benzoate Openeye Name: 2-(4-methylphenoxy)ethyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid 2-(4-methylphenoxy)ethyl ester IUPAC Name: 2-(4-methylphenoxy)ethyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid 2-(4-methylphenoxy)ethyl ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5/c1-12-6-8-14(9-7-12)22-10-11-23-17(19)15-5-3-4-13(2)16(15)18(20)21/h3-9H,10-11H2,1-2H3