[3-(1-butyl-6-nitro-2-oxidanylidene-quinazolin-4-yl)phenyl] ethanoate

Systemtic Name: [3-(1-butyl-6-nitro-2-oxidanylidene-quinazolin-4-yl)phenyl] ethanoate Openeye Name: [3-(1-butyl-6-nitro-2-oxo-quinazolin-4-yl)phenyl] acetate CAS Name: acetic acid [3-(1-butyl-6-nitro-2-oxo-4-quinazolinyl)phenyl] ester IUPAC Name: [3-(1-butyl-6-nitro-2-oxoquinazolin-4-yl)phenyl] acetate Traditional Name: acetic acid [3-(1-butyl-2-keto-6-nitro-quinazolin-4-yl)phenyl] ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=NC1=O)C3=CC(=CC=C3)OC(=O)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=NC1=O)C3=CC(=CC=C3)OC(=O)C

InChI

InChI=1S/C20H19N3O5/c1-3-4-10-22-18-9-8-15(23(26)27)12-17(18)19(21-20(22)25)14-6-5-7-16(11-14)28-13(2)24/h5-9,11-12H,3-4,10H2,1-2H3