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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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