methyl 4-[(5-nitro-2-oxidanyl-phenyl)methylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(5-nitro-2-oxidanyl-phenyl)methylcarbamoyl]benzoate Openeye Name: methyl 4-[(2-hydroxy-5-nitro-phenyl)methylcarbamoyl]benzoate CAS Name: 4-[[(2-hydroxy-5-nitrophenyl)methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-hydroxy-5-nitrophenyl)methylcarbamoyl]benzoate Traditional Name: 4-[(2-hydroxy-5-nitro-benzyl)carbamoyl]benzoic acid methyl ester Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H14N2O6/c1-24-16(21)11-4-2-10(3-5-11)15(20)17-9-12-8-13(18(22)23)6-7-14(12)19/h2-8,19H,9H2,1H3,(H,17,20)