8-[[3-[(4-methyl-3-nitro-phenyl)carbamoylamino]phenyl]carbonylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[[3-[(4-methyl-3-nitro-phenyl)carbamoylamino]phenyl]carbonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[[3-[(4-methyl-3-nitro-phenyl)carbamoylamino]benzoyl]amino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[[3-[[(4-methyl-3-nitroanilino)-oxomethyl]amino]phenyl]-oxomethyl]amino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[[3-[(4-methyl-3-nitrophenyl)carbamoylamino]benzoyl]amino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[[3-[(4-methyl-3-nitro-phenyl)carbamoylamino]benzoyl]amino]naphthalene-1,3,6-trisulfonic acid Formula: C25H20N4O13S3 MolecularWeight: 680.6403

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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=C4S(=O)(=O)O)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=C4S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C25H20N4O13S3/c1-13-5-6-17(10-21(13)29(32)33)27-25(31)26-16-4-2-3-14(7-16)24(30)28-20-11-18(43(34,35)36)8-15-9-19(44(37,38)39)12-22(23(15)20)45(40,41)42/h2-12H,1H3,(H,28,30)(H2,26,27,31)(H,34,35,36)(H,37,38,39)(H,40,41,42)