ethanedioic acid; 3-[2-[2-(4-methyl-2-nitro-phenoxy)ethoxy]ethyl]quinazolin-4-one

Systemtic Name: ethanedioic acid; 3-[2-[2-(4-methyl-2-nitro-phenoxy)ethoxy]ethyl]quinazolin-4-one Openeye Name: 3-[2-[2-(4-methyl-2-nitro-phenoxy)ethoxy]ethyl]quinazolin-4-one; oxalic acid CAS Name: 3-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethyl]-4-quinazolinone; oxalic acid IUPAC Name: 3-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethyl]quinazolin-4-one; oxalic acid Traditional Name: 3-[2-[2-(4-methyl-2-nitro-phenoxy)ethoxy]ethyl]quinazolin-4-one; oxalic acid Formula: C21H21N3O9 MolecularWeight: 459.40614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCOCCN2C=NC3=CC=CC=C3C2=O)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCOCCN2C=NC3=CC=CC=C3C2=O)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C19H19N3O5.C2H2O4/c1-14-6-7-18(17(12-14)22(24)25)27-11-10-26-9-8-21-13-20-16-5-3-2-4-15(16)19(21)23;3-1(4)2(5)6/h2-7,12-13H,8-11H2,1H3;(H,3,4)(H,5,6)