2-[2-[bis[[(4-nitrophenyl)carbonylamino]methyl]amino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[bis[[(4-nitrophenyl)carbonylamino]methyl]amino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[bis[[(4-nitrobenzoyl)amino]methyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[bis[[[(4-nitrophenyl)-oxomethyl]amino]methyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[bis[[(4-nitrobenzoyl)amino]methyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[bis[[(4-nitrobenzoyl)amino]methyl]amino]acetyl]amino]acetic acid Formula: C20H20N6O9 MolecularWeight: 488.4076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCN(CC(=O)NCC(=O)O)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCN(CC(=O)NCC(=O)O)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O9/c27-17(21-9-18(28)29)10-24(11-22-19(30)13-1-5-15(6-2-13)25(32)33)12-23-20(31)14-3-7-16(8-4-14)26(34)35/h1-8H,9-12H2,(H,21,27)(H,22,30)(H,23,31)(H,28,29)