3-[(3-nitrophenyl)carbonylamino]-5-sulfonato-benzoate

Systemtic Name: 3-[(3-nitrophenyl)carbonylamino]-5-sulfonato-benzoate Openeye Name: 3-[(3-nitrobenzoyl)amino]-5-sulfonato-benzoate CAS Name: 3-[[(3-nitrophenyl)-oxomethyl]amino]-5-sulfonatobenzoate IUPAC Name: 3-[(3-nitrobenzoyl)amino]-5-sulfonatobenzoate Traditional Name: 3-[(3-nitrobenzoyl)amino]-5-sulfonato-benzoate Formula: C14H8N2O8S-2 MolecularWeight: 364.28692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O8S/c17-13(8-2-1-3-11(5-8)16(20)21)15-10-4-9(14(18)19)6-12(7-10)25(22,23)24/h1-7H,(H,15,17)(H,18,19)(H,22,23,24)/p-2