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

Systemtic Name: ethanedioic acid; 3-[2-(4-methyl-2-nitro-phenoxy)ethyl]quinazolin-4-one Openeye Name: 3-[2-(4-methyl-2-nitro-phenoxy)ethyl]quinazolin-4-one; oxalic acid CAS Name: 3-[2-(4-methyl-2-nitrophenoxy)ethyl]-4-quinazolinone; oxalic acid IUPAC Name: 3-[2-(4-methyl-2-nitrophenoxy)ethyl]quinazolin-4-one; oxalic acid Traditional Name: 3-[2-(4-methyl-2-nitro-phenoxy)ethyl]quinazolin-4-one; oxalic acid Formula: C19H17N3O8 MolecularWeight: 415.35358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCN2C=NC3=CC=CC=C3C2=O)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCN2C=NC3=CC=CC=C3C2=O)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C17H15N3O4.C2H2O4/c1-12-6-7-16(15(10-12)20(22)23)24-9-8-19-11-18-14-5-3-2-4-13(14)17(19)21;3-1(4)2(5)6/h2-7,10-11H,8-9H2,1H3;(H,3,4)(H,5,6)