2-[(5-iodanyl-2-methyl-phenyl)carbamoyl]-3-nitro-benzoic acid

Systemtic Name: 2-[(5-iodanyl-2-methyl-phenyl)carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[(5-iodo-2-methyl-phenyl)carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[(5-iodo-2-methylanilino)-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[(5-iodo-2-methylphenyl)carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[(5-iodo-2-methyl-phenyl)carbamoyl]-3-nitro-benzoic acid Formula: C15H11IN2O5 MolecularWeight: 426.16271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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