disodium 3-[5-[[(1-azanyl-2-phenyl-ethylidene)amino]methyl]-4-(2-oxidanidyl-2-oxidanylidene-ethyl)-1H-pyrrol-3-yl]propanoate

Systemtic Name: disodium 3-[5-[[(1-azanyl-2-phenyl-ethylidene)amino]methyl]-4-(2-oxidanidyl-2-oxidanylidene-ethyl)-1H-pyrrol-3-yl]propanoate Openeye Name: disodium 3-[5-[[(1-amino-2-phenyl-ethylidene)amino]methyl]-4-(2-oxido-2-oxo-ethyl)-1H-pyrrol-3-yl]propanoate CAS Name: disodium 3-[5-[[(1-amino-2-phenylethylidene)amino]methyl]-4-(2-oxido-2-oxoethyl)-1H-pyrrol-3-yl]propanoate IUPAC Name: disodium 3-[5-[[(1-amino-2-phenylethylidene)amino]methyl]-4-(2-oxido-2-oxoethyl)-1H-pyrrol-3-yl]propanoate Traditional Name: disodium 3-[5-[[(1-amino-2-phenyl-ethylidene)amino]methyl]-4-(2-keto-2-oxido-ethyl)-1H-pyrrol-3-yl]propionate Formula: C18H19N3Na2O4 MolecularWeight: 387.3407

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=NCC2=C(C(=CN2)CCC(=O)[O-])CC(=O)[O-])N.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC(=NCC2=C(C(=CN2)CCC(=O)[O-])CC(=O)[O-])N.[Na+].[Na+]

InChI

InChI=1S/C18H21N3O4.2Na/c19-16(8-12-4-2-1-3-5-12)21-11-15-14(9-18(24)25)13(10-20-15)6-7-17(22)23;;/h1-5,10,20H,6-9,11H2,(H2,19,21)(H,22,23)(H,24,25);;/q;2*+1/p-2