3-methyl-N-[4-[2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoyl]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoyl]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[2-(6-nitro-4-oxo-quinazolin-3-yl)acetyl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[2-(6-nitro-4-oxo-3-quinazolinyl)-1-oxoethyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide Traditional Name: N-[4-[2-(4-keto-6-nitro-quinazolin-3-yl)acetyl]phenyl]-3-methyl-butyramide Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c1-13(2)9-20(27)23-15-5-3-14(4-6-15)19(26)11-24-12-22-18-8-7-16(25(29)30)10-17(18)21(24)28/h3-8,10,12-13H,9,11H2,1-2H3,(H,23,27)