2-[[2-[(4-methylphenyl)sulfonylamino]-4-nitro-phenyl]carbonylamino]-4-nitro-benzoic acid

Systemtic Name: 2-[[2-[(4-methylphenyl)sulfonylamino]-4-nitro-phenyl]carbonylamino]-4-nitro-benzoic acid Openeye Name: 4-nitro-2-[[4-nitro-2-(p-tolylsulfonylamino)benzoyl]amino]benzoic acid CAS Name: 2-[[[2-[(4-methylphenyl)sulfonylamino]-4-nitrophenyl]-oxomethyl]amino]-4-nitrobenzoic acid IUPAC Name: 2-[[2-[(4-methylphenyl)sulfonylamino]-4-nitrobenzoyl]amino]-4-nitrobenzoic acid Traditional Name: 4-nitro-2-[[4-nitro-2-(tosylamino)benzoyl]amino]benzoic acid Formula: C21H16N4O9S MolecularWeight: 500.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H16N4O9S/c1-12-2-6-15(7-3-12)35(33,34)23-19-11-14(25(31)32)4-8-16(19)20(26)22-18-10-13(24(29)30)5-9-17(18)21(27)28/h2-11,23H,1H3,(H,22,26)(H,27,28)