(E)-2-(2-chloranyl-5-nitro-phenyl)carbonyl-3-(morpholin-2-ylamino)but-2-enoic acid

Systemtic Name: (E)-2-(2-chloranyl-5-nitro-phenyl)carbonyl-3-(morpholin-2-ylamino)but-2-enoic acid Openeye Name: (E)-2-(2-chloro-5-nitro-benzoyl)-3-(morpholin-2-ylamino)but-2-enoic acid CAS Name: (E)-2-[(2-chloro-5-nitrophenyl)-oxomethyl]-3-(2-morpholinylamino)-2-butenoic acid IUPAC Name: (E)-2-(2-chloro-5-nitrobenzoyl)-3-(morpholin-2-ylamino)but-2-enoic acid Traditional Name: (E)-2-(2-chloro-5-nitro-benzoyl)-3-(morpholin-2-ylamino)but-2-enoic acid Formula: C15H16ClN3O6 MolecularWeight: 369.75704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)O)NC2CNCCO2

Isomeric SMILES

C/C(=C(/C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl)\C(=O)O)/NC2CNCCO2

InChI

InChI=1S/C15H16ClN3O6/c1-8(18-12-7-17-4-5-25-12)13(15(21)22)14(20)10-6-9(19(23)24)2-3-11(10)16/h2-3,6,12,17-18H,4-5,7H2,1H3,(H,21,22)/b13-8+