3-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-6-nitro-quinazolin-4-one

Systemtic Name: 3-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-6-nitro-quinazolin-4-one Openeye Name: 3-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-6-nitro-quinazolin-4-one CAS Name: 3-[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]-6-nitro-4-quinazolinone IUPAC Name: 3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-6-nitroquinazolin-4-one Traditional Name: 3-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-6-nitro-quinazolin-4-one Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H18N4O4/c1-4-21-11(2)7-14(12(21)3)17(23)9-20-10-19-16-6-5-13(22(25)26)8-15(16)18(20)24/h5-8,10H,4,9H2,1-3H3