methyl 3-[(3-iodanyl-4-methyl-phenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(3-iodanyl-4-methyl-phenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(3-iodo-4-methyl-phenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[(3-iodo-4-methylanilino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(3-iodo-4-methylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(3-iodo-4-methyl-phenyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C16H13IN2O5 MolecularWeight: 440.18929

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13IN2O5/c1-9-3-4-12(8-14(9)17)18-15(20)10-5-11(16(21)24-2)7-13(6-10)19(22)23/h3-8H,1-2H3,(H,18,20)