2-[(4-iodanyl-2-methyl-phenyl)carbamoyl]-5-nitro-benzoic acid

Systemtic Name: 2-[(4-iodanyl-2-methyl-phenyl)carbamoyl]-5-nitro-benzoic acid Openeye Name: 2-[(4-iodo-2-methyl-phenyl)carbamoyl]-5-nitro-benzoic acid CAS Name: 2-[(4-iodo-2-methylanilino)-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 2-[(4-iodo-2-methylphenyl)carbamoyl]-5-nitrobenzoic acid Traditional Name: 2-[(4-iodo-2-methyl-phenyl)carbamoyl]-5-nitro-benzoic acid Formula: C15H11IN2O5 MolecularWeight: 426.16271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11IN2O5/c1-8-6-9(16)2-5-13(8)17-14(19)11-4-3-10(18(22)23)7-12(11)15(20)21/h2-7H,1H3,(H,17,19)(H,20,21)