(3E)-5-acetamido-3-[[4-(2-azanylethylcarbamoyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid

Systemtic Name: (3E)-5-acetamido-3-[[4-(2-azanylethylcarbamoyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid Openeye Name: (3E)-5-acetamido-3-[[4-(2-aminoethylcarbamoyl)phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonic acid CAS Name: (3E)-5-acetamido-3-[[4-[(2-aminoethylamino)-oxomethyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid IUPAC Name: (3E)-5-acetamido-3-[[4-(2-aminoethylcarbamoyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid Traditional Name: (3E)-5-acetamido-3-[[4-(2-aminoethylcarbamoyl)phenyl]hydrazono]-4-keto-naphthalene-2,7-disulfonic acid Formula: C21H21N5O9S2 MolecularWeight: 551.54954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=NNC3=CC=C(C=C3)C(=O)NCCN)C2=O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(/C(=N/NC3=CC=C(C=C3)C(=O)NCCN)/C2=O)S(=O)(=O)O

InChI

InChI=1S/C21H21N5O9S2/c1-11(27)24-16-10-15(36(30,31)32)8-13-9-17(37(33,34)35)19(20(28)18(13)16)26-25-14-4-2-12(3-5-14)21(29)23-7-6-22/h2-5,8-10,25H,6-7,22H2,1H3,(H,23,29)(H,24,27)(H,30,31,32)(H,33,34,35)/b26-19-