(4,5-dimethoxy-2-methyl-phenyl)methyl 4-azanyl-3-nitro-benzoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 4-azanyl-3-nitro-benzoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C17H18N2O6/c1-10-6-15(23-2)16(24-3)8-12(10)9-25-17(20)11-4-5-13(18)14(7-11)19(21)22/h4-8H,9,18H2,1-3H3