2-[(4-nitrophenyl)amino]-N-[(E)-[(2S,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentylidene]amino]ethanamide

Systemtic Name: 2-[(4-nitrophenyl)amino]-N-[(E)-[(2S,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentylidene]amino]ethanamide Openeye Name: 2-(4-nitroanilino)-N-[(E)-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]acetamide CAS Name: 2-(4-nitroanilino)-N-[(E)-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]acetamide IUPAC Name: 2-(4-nitroanilino)-N-[(E)-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]acetamide Traditional Name: 2-(4-nitroanilino)-N-[(E)-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]acetamide Formula: C13H18N4O7 MolecularWeight: 342.30462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCC(=O)NN=CC(C(C(CO)O)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCC(=O)N/N=C/[C@@H]([C@@H]([C@@H](CO)O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O7/c18-7-11(20)13(22)10(19)5-15-16-12(21)6-14-8-1-3-9(4-2-8)17(23)24/h1-5,10-11,13-14,18-20,22H,6-7H2,(H,16,21)/b15-5+/t10-,11+,13-/m0/s1