(2-methoxy-5-nitro-phenyl) 4-(3-methylphenoxy)butanoate

Systemtic Name: (2-methoxy-5-nitro-phenyl) 4-(3-methylphenoxy)butanoate Openeye Name: (2-methoxy-5-nitro-phenyl) 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid (2-methoxy-5-nitrophenyl) ester IUPAC Name: (2-methoxy-5-nitrophenyl) 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid (2-methoxy-5-nitro-phenyl) ester Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)OC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)OC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H19NO6/c1-13-5-3-6-15(11-13)24-10-4-7-18(20)25-17-12-14(19(21)22)8-9-16(17)23-2/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3