5-bromanyl-2-[[4-[(5-nitro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[4-[(5-nitro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[[4-(5-nitroindolin-1-yl)sulfonylbenzoyl]amino]benzoic acid CAS Name: 5-bromo-2-[[[4-[(5-nitro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[4-[(5-nitro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[4-(5-nitroindolin-1-yl)sulfonylbenzoyl]amino]benzoic acid Formula: C22H16BrN3O7S MolecularWeight: 546.34734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C22H16BrN3O7S/c23-15-3-7-19(18(12-15)22(28)29)24-21(27)13-1-5-17(6-2-13)34(32,33)25-10-9-14-11-16(26(30)31)4-8-20(14)25/h1-8,11-12H,9-10H2,(H,24,27)(H,28,29)