4-[[3-[(4-methyl-3-nitro-phenyl)carbamoylamino]phenyl]carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[[3-[(4-methyl-3-nitro-phenyl)carbamoylamino]phenyl]carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-hydroxy-5-[[3-[(4-methyl-3-nitro-phenyl)carbamoylamino]benzoyl]amino]naphthalene-2,7-disulfonic acid CAS Name: 4-hydroxy-5-[[[3-[[(4-methyl-3-nitroanilino)-oxomethyl]amino]phenyl]-oxomethyl]amino]naphthalene-2,7-disulfonic acid IUPAC Name: 4-hydroxy-5-[[3-[(4-methyl-3-nitrophenyl)carbamoylamino]benzoyl]amino]naphthalene-2,7-disulfonic acid Traditional Name: 4-hydroxy-5-[[3-[(4-methyl-3-nitro-phenyl)carbamoylamino]benzoyl]amino]naphthalene-2,7-disulfonic acid Formula: C25H20N4O11S2 MolecularWeight: 616.5765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4O)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4O)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C25H20N4O11S2/c1-13-5-6-17(10-21(13)29(33)34)27-25(32)26-16-4-2-3-14(7-16)24(31)28-20-11-18(41(35,36)37)8-15-9-19(42(38,39)40)12-22(30)23(15)20/h2-12,30H,1H3,(H,28,31)(H2,26,27,32)(H,35,36,37)(H,38,39,40)