6-chloranyl-3-(2-diethylaminoethyl)-2H-1,3-benzoxazin-4-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 6-chloranyl-3-(2-diethylaminoethyl)-2H-1,3-benzoxazin-4-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 6-chloro-3-(2-diethylaminoethyl)-2H-1,3-benzoxazin-4-one; citric acid CAS Name: 6-chloro-3-(2-diethylaminoethyl)-2H-1,3-benzoxazin-4-one; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 6-chloro-3-(2-diethylaminoethyl)-2H-1,3-benzoxazin-4-one; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 6-chloro-3-(2-diethylaminoethyl)-2H-1,3-benzoxazin-4-one; citric acid Formula: C20H27ClN2O9 MolecularWeight: 474.88938

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1COC2=C(C1=O)C=C(C=C2)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCN1COC2=C(C1=O)C=C(C=C2)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C14H19ClN2O2.C6H8O7/c1-3-16(4-2)7-8-17-10-19-13-6-5-11(15)9-12(13)14(17)18;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-6,9H,3-4,7-8,10H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)