(2-methoxycarbonylphenyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (2-methoxycarbonylphenyl) 3-methyl-4-nitro-benzoate Openeye Name: (2-methoxycarbonylphenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (2-methoxycarbonylphenyl) ester IUPAC Name: (2-methoxycarbonylphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2-carbomethoxyphenyl) ester Formula: C16H13NO6 MolecularWeight: 315.27752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC=CC=C2C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC=CC=C2C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO6/c1-10-9-11(7-8-13(10)17(20)21)15(18)23-14-6-4-3-5-12(14)16(19)22-2/h3-9H,1-2H3