(3-chlorophenyl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: (3-chlorophenyl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: (3-chlorophenyl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid (3-chlorobenzyl) ester Formula: C17H16ClNO6 MolecularWeight: 365.76504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=CC(=CC=C2)Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=CC(=CC=C2)Cl)OC

InChI

InChI=1S/C17H16ClNO6/c1-3-24-16-9-14(19(21)22)13(8-15(16)23-2)17(20)25-10-11-5-4-6-12(18)7-11/h4-9H,3,10H2,1-2H3