2-[(3-nitrophenyl)carbonylamino]naphthalene-1,5-disulfonic acid

Systemtic Name: 2-[(3-nitrophenyl)carbonylamino]naphthalene-1,5-disulfonic acid Openeye Name: 2-[(3-nitrobenzoyl)amino]naphthalene-1,5-disulfonic acid CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]naphthalene-1,5-disulfonic acid IUPAC Name: 2-[(3-nitrobenzoyl)amino]naphthalene-1,5-disulfonic acid Traditional Name: 2-[(3-nitrobenzoyl)amino]naphthalene-1,5-disulfonic acid Formula: C17H12N2O9S2 MolecularWeight: 452.41518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C(C3=C(C=C2)C(=CC=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C(C3=C(C=C2)C(=CC=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H12N2O9S2/c20-17(10-3-1-4-11(9-10)19(21)22)18-14-8-7-12-13(16(14)30(26,27)28)5-2-6-15(12)29(23,24)25/h1-9H,(H,18,20)(H,23,24,25)(H,26,27,28)