3-bromanyl-6-[(2-chloranyl-4-iodanyl-phenyl)amino]-6-[(4-iodanyl-2-methyl-phenyl)amino]-3-nitro-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: 3-bromanyl-6-[(2-chloranyl-4-iodanyl-phenyl)amino]-6-[(4-iodanyl-2-methyl-phenyl)amino]-3-nitro-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 3-bromo-6-(2-chloro-4-iodo-anilino)-6-(4-iodo-2-methyl-anilino)-3-nitro-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 3-bromo-6-(2-chloro-4-iodoanilino)-6-(4-iodo-2-methylanilino)-3-nitro-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 3-bromo-6-(2-chloro-4-iodoanilino)-6-(4-iodo-2-methylanilino)-3-nitrocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 3-bromo-6-(2-chloro-4-iodo-anilino)-6-(4-iodo-2-methyl-anilino)-3-nitro-cyclohexa-1,4-diene-1-carboxylic acid Formula: C20H15BrClI2N3O4 MolecularWeight: 730.51674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2(C=CC(C=C2C(=O)O)([N+](=O)[O-])Br)NC3=C(C=C(C=C3)I)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2(C=CC(C=C2C(=O)O)([N+](=O)[O-])Br)NC3=C(C=C(C=C3)I)Cl

InChI

InChI=1S/C20H15BrClI2N3O4/c1-11-8-12(23)2-4-16(11)25-20(26-17-5-3-13(24)9-15(17)22)7-6-19(21,27(30)31)10-14(20)18(28)29/h2-10,25-26H,1H3,(H,28,29)