2-[[3-[(3-nitrophenyl)carbonylamino]phenyl]sulfonylamino]butanedioic acid

Systemtic Name: 2-[[3-[(3-nitrophenyl)carbonylamino]phenyl]sulfonylamino]butanedioic acid Openeye Name: 2-[[3-[(3-nitrobenzoyl)amino]phenyl]sulfonylamino]butanedioic acid CAS Name: 2-[[3-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]sulfonylamino]butanedioic acid IUPAC Name: 2-[[3-[(3-nitrobenzoyl)amino]phenyl]sulfonylamino]butanedioic acid Traditional Name: 2-[[3-[(3-nitrobenzoyl)amino]phenyl]sulfonylamino]succinic acid Formula: C17H15N3O9S MolecularWeight: 437.3807

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C17H15N3O9S/c21-15(22)9-14(17(24)25)19-30(28,29)13-6-2-4-11(8-13)18-16(23)10-3-1-5-12(7-10)20(26)27/h1-8,14,19H,9H2,(H,18,23)(H,21,22)(H,24,25)