2-[(2-methoxycarbonylphenyl)methyl]-4-nitro-benzoic acid

Systemtic Name: 2-[(2-methoxycarbonylphenyl)methyl]-4-nitro-benzoic acid Openeye Name: 2-[(2-methoxycarbonylphenyl)methyl]-4-nitro-benzoic acid CAS Name: 2-[(2-methoxycarbonylphenyl)methyl]-4-nitrobenzoic acid IUPAC Name: 2-[(2-methoxycarbonylphenyl)methyl]-4-nitrobenzoic acid Traditional Name: 2-(2-carbomethoxybenzyl)-4-nitro-benzoic acid Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1CC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H13NO6/c1-23-16(20)14-5-3-2-4-10(14)8-11-9-12(17(21)22)6-7-13(11)15(18)19/h2-7,9H,8H2,1H3,(H,18,19)