ethanedioic acid; ethyl 4-(morpholin-2-ylmethyl)-3-oxidanylidene-1,4-benzoxazine-2-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-(morpholin-2-ylmethyl)-3-oxidanylidene-1,4-benzoxazine-2-carboxylate Openeye Name: ethyl 4-(morpholin-2-ylmethyl)-3-oxo-1,4-benzoxazine-2-carboxylate; oxalic acid CAS Name: 4-(2-morpholinylmethyl)-3-oxo-1,4-benzoxazine-2-carboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-(morpholin-2-ylmethyl)-3-oxo-1,4-benzoxazine-2-carboxylate; oxalic acid Traditional Name: 3-keto-4-(morpholin-2-ylmethyl)-1,4-benzoxazine-2-carboxylic acid ethyl ester; oxalic acid Formula: C18H22N2O9 MolecularWeight: 410.37528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=O)N(C2=CC=CC=C2O1)CC3CNCCO3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1C(=O)N(C2=CC=CC=C2O1)CC3CNCCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H20N2O5.C2H2O4/c1-2-21-16(20)14-15(19)18(10-11-9-17-7-8-22-11)12-5-3-4-6-13(12)23-14;3-1(4)2(5)6/h3-6,11,14,17H,2,7-10H2,1H3;(H,3,4)(H,5,6)