3-bromanyl-6,6-bis[(4-iodanyl-2-methyl-phenyl)amino]-3-nitro-5-(3-oxidanylpyrrolidin-1-yl)-4-phenyl-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: 3-bromanyl-6,6-bis[(4-iodanyl-2-methyl-phenyl)amino]-3-nitro-5-(3-oxidanylpyrrolidin-1-yl)-4-phenyl-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 3-bromo-5-(3-hydroxypyrrolidin-1-yl)-6,6-bis(4-iodo-2-methyl-anilino)-3-nitro-4-phenyl-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 3-bromo-5-(3-hydroxy-1-pyrrolidinyl)-6,6-bis(4-iodo-2-methylanilino)-3-nitro-4-phenyl-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 3-bromo-5-(3-hydroxypyrrolidin-1-yl)-6,6-bis(4-iodo-2-methylanilino)-3-nitro-4-phenylcyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 3-bromo-5-(3-hydroxypyrrolidino)-6,6-bis(4-iodo-2-methyl-anilino)-3-nitro-4-phenyl-cyclohexa-1,4-diene-1-carboxylic acid Formula: C31H29BrI2N4O5 MolecularWeight: 871.2987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2(C(=CC(C(=C2N3CCC(C3)O)C4=CC=CC=C4)([N+](=O)[O-])Br)C(=O)O)NC5=C(C=C(C=C5)I)C

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2(C(=CC(C(=C2N3CCC(C3)O)C4=CC=CC=C4)([N+](=O)[O-])Br)C(=O)O)NC5=C(C=C(C=C5)I)C

InChI

InChI=1S/C31H29BrI2N4O5/c1-18-14-21(33)8-10-25(18)35-31(36-26-11-9-22(34)15-19(26)2)24(29(40)41)16-30(32,38(42)43)27(20-6-4-3-5-7-20)28(31)37-13-12-23(39)17-37/h3-11,14-16,23,35-36,39H,12-13,17H2,1-2H3,(H,40,41)