[2-methoxy-5-(2-nitroethyl)phenyl] benzoate

Systemtic Name: [2-methoxy-5-(2-nitroethyl)phenyl] benzoate Openeye Name: [2-methoxy-5-(2-nitroethyl)phenyl] benzoate CAS Name: benzoic acid [2-methoxy-5-(2-nitroethyl)phenyl] ester IUPAC Name: [2-methoxy-5-(2-nitroethyl)phenyl] benzoate Traditional Name: benzoic acid [2-methoxy-5-(2-nitroethyl)phenyl] ester Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[N+](=O)[O-])OC(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)CC[N+](=O)[O-])OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H15NO5/c1-21-14-8-7-12(9-10-17(19)20)11-15(14)22-16(18)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3