methyl 4-[2,5-dimethyl-3-[2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoyl]pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoyl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-(7-nitro-4-oxo-quinazolin-3-yl)acetyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[2-(7-nitro-4-oxo-3-quinazolinyl)-1-oxoethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]pyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-(4-keto-7-nitro-quinazolin-3-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C24H20N4O6 MolecularWeight: 460.4388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O6/c1-14-10-20(15(2)27(14)17-6-4-16(5-7-17)24(31)34-3)22(29)12-26-13-25-21-11-18(28(32)33)8-9-19(21)23(26)30/h4-11,13H,12H2,1-3H3