2-[[(4-ethanoyl-2-nitro-phenyl)-ethyl-amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[(4-ethanoyl-2-nitro-phenyl)-ethyl-amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[(4-acetyl-N-ethyl-2-nitro-anilino)methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[(4-acetyl-N-ethyl-2-nitroanilino)methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[(4-acetyl-N-ethyl-2-nitroanilino)methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[(4-acetyl-N-ethyl-2-nitro-anilino)methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)C3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)C3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c1-5-24(16-7-6-13(12(2)26)8-17(16)25(28)29)11-20-22-15-10-19(31-4)18(30-3)9-14(15)21(27)23-20/h6-10H,5,11H2,1-4H3,(H,22,23,27)