7-nitro-3-(2-phenoxyethyl)quinazolin-4-one

Systemtic Name: 7-nitro-3-(2-phenoxyethyl)quinazolin-4-one Openeye Name: 7-nitro-3-(2-phenoxyethyl)quinazolin-4-one CAS Name: 7-nitro-3-(2-phenoxyethyl)-4-quinazolinone IUPAC Name: 7-nitro-3-(2-phenoxyethyl)quinazolin-4-one Traditional Name: 7-nitro-3-(2-phenoxyethyl)quinazolin-4-one Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4/c20-16-14-7-6-12(19(21)22)10-15(14)17-11-18(16)8-9-23-13-4-2-1-3-5-13/h1-7,10-11H,8-9H2