methyl 3-[2,5-dimethyl-3-[2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoyl]pyrrol-1-yl]propanoate

Systemtic Name: methyl 3-[2,5-dimethyl-3-[2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoyl]pyrrol-1-yl]propanoate Openeye Name: methyl 3-[2,5-dimethyl-3-[2-(6-nitro-4-oxo-quinazolin-3-yl)acetyl]pyrrol-1-yl]propanoate CAS Name: 3-[2,5-dimethyl-3-[2-(6-nitro-4-oxo-3-quinazolinyl)-1-oxoethyl]-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2,5-dimethyl-3-[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]pyrrol-1-yl]propanoate Traditional Name: 3-[3-[2-(4-keto-6-nitro-quinazolin-3-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]propionic acid methyl ester Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6/c1-12-8-15(13(2)23(12)7-6-19(26)30-3)18(25)10-22-11-21-17-5-4-14(24(28)29)9-16(17)20(22)27/h4-5,8-9,11H,6-7,10H2,1-3H3