3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C18H15BrN4O5 MolecularWeight: 447.2395

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C18H15BrN4O5/c1-28-16-5-3-12(23(26)27)9-15(16)21-17(24)6-7-22-10-20-14-4-2-11(19)8-13(14)18(22)25/h2-5,8-10H,6-7H2,1H3,(H,21,24)