7-[(4-iodanyl-2-methyl-phenyl)amino]-4-nitro-1,3-benzoxazole-6-carboxylic acid

Systemtic Name: 7-[(4-iodanyl-2-methyl-phenyl)amino]-4-nitro-1,3-benzoxazole-6-carboxylic acid Openeye Name: 7-(4-iodo-2-methyl-anilino)-4-nitro-1,3-benzoxazole-6-carboxylic acid CAS Name: 7-(4-iodo-2-methylanilino)-4-nitro-1,3-benzoxazole-6-carboxylic acid IUPAC Name: 7-(4-iodo-2-methylanilino)-4-nitro-1,3-benzoxazole-6-carboxylic acid Traditional Name: 7-(4-iodo-2-methyl-anilino)-4-nitro-1,3-benzoxazole-6-carboxylic acid Formula: C15H10IN3O5 MolecularWeight: 439.16147

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C3C(=C(C=C2C(=O)O)[N+](=O)[O-])N=CO3

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C3C(=C(C=C2C(=O)O)[N+](=O)[O-])N=CO3

InChI

InChI=1S/C15H10IN3O5/c1-7-4-8(16)2-3-10(7)18-12-9(15(20)21)5-11(19(22)23)13-14(12)24-6-17-13/h2-6,18H,1H3,(H,20,21)