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3-[3-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylbenzoic acid

3-[3-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylbenzoic acid

Systemtic Name:3-[3-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylbenzoic acid
Openeye Name:3-[3-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylbenzoic acid
CAS Name:3-[3-[(4-nitroanilino)-oxomethyl]phenyl]sulfonylbenzoic acid
IUPAC Name:3-[3-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylbenzoic acid
Traditional Name:3-[3-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylbenzoic acid
Formula: C20H14N2O7S
MolecularWeight: 426.39936
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]


Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]


InChI

InChI=1S/C20H14N2O7S/c23-19(21-15-7-9-16(10-8-15)22(26)27)13-3-1-5-17(11-13)30(28,29)18-6-2-4-14(12-18)20(24)25/h1-12H,(H,21,23)(H,24,25)


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