(3E)-7-[(3-aminophenyl)carbonylamino]-3-[(2,4-dimethylphenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: (3E)-7-[(3-aminophenyl)carbonylamino]-3-[(2,4-dimethylphenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: (3E)-7-[(3-aminobenzoyl)amino]-3-[(2,4-dimethylphenyl)hydrazono]-4-oxo-naphthalene-2-sulfonic acid CAS Name: (3E)-7-[[(3-aminophenyl)-oxomethyl]amino]-3-[(2,4-dimethylphenyl)hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid IUPAC Name: (3E)-7-[(3-aminobenzoyl)amino]-3-[(2,4-dimethylphenyl)hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid Traditional Name: (3E)-7-[(3-aminobenzoyl)amino]-3-[(2,4-dimethylphenyl)hydrazono]-4-keto-naphthalene-2-sulfonic acid Formula: C25H22N4O5S MolecularWeight: 490.53098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)C4=CC(=CC=C4)N)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N/N=C\2/C(=CC3=C(C2=O)C=CC(=C3)NC(=O)C4=CC(=CC=C4)N)S(=O)(=O)O)C

InChI

InChI=1S/C25H22N4O5S/c1-14-6-9-21(15(2)10-14)28-29-23-22(35(32,33)34)13-17-12-19(7-8-20(17)24(23)30)27-25(31)16-4-3-5-18(26)11-16/h3-13,28H,26H2,1-2H3,(H,27,31)(H,32,33,34)/b29-23-