7-[[2,4-bis(methoxycarbonyl)phenyl]carbamoylamino]naphthalene-1,3-disulfonic acid

Systemtic Name: 7-[[2,4-bis(methoxycarbonyl)phenyl]carbamoylamino]naphthalene-1,3-disulfonic acid Openeye Name: 7-[[2,4-bis(methoxycarbonyl)phenyl]carbamoylamino]naphthalene-1,3-disulfonic acid CAS Name: 7-[[[2,4-bis(methoxycarbonyl)anilino]-oxomethyl]amino]naphthalene-1,3-disulfonic acid IUPAC Name: 7-[[2,4-bis(methoxycarbonyl)phenyl]carbamoylamino]naphthalene-1,3-disulfonic acid Traditional Name: 7-[(2,4-dicarbomethoxyphenyl)carbamoylamino]naphthalene-1,3-disulfonic acid Formula: C21H18N2O11S2 MolecularWeight: 538.50442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NC(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NC(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)C(=O)OC

InChI

InChI=1S/C21H18N2O11S2/c1-33-19(24)12-4-6-17(16(8-12)20(25)34-2)23-21(26)22-13-5-3-11-7-14(35(27,28)29)10-18(15(11)9-13)36(30,31)32/h3-10H,1-2H3,(H2,22,23,26)(H,27,28,29)(H,30,31,32)