2-(cyanomethoxymethyl)-5-(ethoxymethoxy)-4-[(4-nitrophenyl)carbonylamino]pentanoic acid

Systemtic Name: 2-(cyanomethoxymethyl)-5-(ethoxymethoxy)-4-[(4-nitrophenyl)carbonylamino]pentanoic acid Openeye Name: 2-(cyanomethoxymethyl)-5-(ethoxymethoxy)-4-[(4-nitrobenzoyl)amino]pentanoic acid CAS Name: 2-(cyanomethoxymethyl)-5-(ethoxymethoxy)-4-[[(4-nitrophenyl)-oxomethyl]amino]pentanoic acid IUPAC Name: 2-(cyanomethoxymethyl)-5-(ethoxymethoxy)-4-[(4-nitrobenzoyl)amino]pentanoic acid Traditional Name: 2-(cyanomethoxymethyl)-5-(ethoxymethoxy)-4-[(4-nitrobenzoyl)amino]valeric acid Formula: C18H23N3O8 MolecularWeight: 409.39052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCOCC(CC(COCC#N)C(=O)O)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCOCOCC(CC(COCC#N)C(=O)O)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O8/c1-2-27-12-29-11-15(9-14(18(23)24)10-28-8-7-19)20-17(22)13-3-5-16(6-4-13)21(25)26/h3-6,14-15H,2,8-12H2,1H3,(H,20,22)(H,23,24)