3-[(3-nitrophenyl)carbonylamino]-5-sulfo-benzoic acid

Systemtic Name: 3-[(3-nitrophenyl)carbonylamino]-5-sulfo-benzoic acid Openeye Name: 3-[(3-nitrobenzoyl)amino]-5-sulfo-benzoic acid CAS Name: 3-[[(3-nitrophenyl)-oxomethyl]amino]-5-sulfobenzoic acid IUPAC Name: 3-[(3-nitrobenzoyl)amino]-5-sulfobenzoic acid Traditional Name: 3-[(3-nitrobenzoyl)amino]-5-sulfo-benzoic acid Formula: C14H10N2O8S MolecularWeight: 366.3028

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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)