methyl 5-methoxy-2-methyl-3-nitro-4-phenylmethoxy-benzoate

Systemtic Name: methyl 5-methoxy-2-methyl-3-nitro-4-phenylmethoxy-benzoate Openeye Name: methyl 4-benzyloxy-5-methoxy-2-methyl-3-nitro-benzoate CAS Name: 5-methoxy-2-methyl-3-nitro-4-phenylmethoxybenzoic acid methyl ester IUPAC Name: methyl 5-methoxy-2-methyl-3-nitro-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-5-methoxy-2-methyl-3-nitro-benzoic acid methyl ester Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)OC)OC)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)OC)OC)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO6/c1-11-13(17(19)23-3)9-14(22-2)16(15(11)18(20)21)24-10-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3