2-[2-(methylamino)ethanoylamino]-5-[(2-nitro-4-sulfo-phenyl)amino]benzenesulfonic acid

Systemtic Name: 2-[2-(methylamino)ethanoylamino]-5-[(2-nitro-4-sulfo-phenyl)amino]benzenesulfonic acid Openeye Name: 2-[[2-(methylamino)acetyl]amino]-5-(2-nitro-4-sulfo-anilino)benzenesulfonic acid CAS Name: 2-[[2-(methylamino)-1-oxoethyl]amino]-5-(2-nitro-4-sulfoanilino)benzenesulfonic acid IUPAC Name: 2-[[2-(methylamino)acetyl]amino]-5-(2-nitro-4-sulfoanilino)benzenesulfonic acid Traditional Name: 5-(2-nitro-4-sulfo-anilino)-2-(sarcosylamino)besylic acid Formula: C15H16N4O9S2 MolecularWeight: 460.43894

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(=O)NC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CNCC(=O)NC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C15H16N4O9S2/c1-16-8-15(20)18-12-4-2-9(6-14(12)30(26,27)28)17-11-5-3-10(29(23,24)25)7-13(11)19(21)22/h2-7,16-17H,8H2,1H3,(H,18,20)(H,23,24,25)(H,26,27,28)