1-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione

Systemtic Name: 1-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione Openeye Name: 1-[2-(3-nitrophenyl)-2-oxo-ethyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione CAS Name: 1-[2-(3-nitrophenyl)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione IUPAC Name: 1-[2-(3-nitrophenyl)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione Traditional Name: 1-[2-keto-2-(3-nitrophenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-quinone Formula: C25H21N3O8 MolecularWeight: 491.44954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O8/c1-34-21-12-17(13-22(35-2)23(21)36-3)27-24(30)18-9-4-5-10-19(18)26(25(27)31)14-20(29)15-7-6-8-16(11-15)28(32)33/h4-13H,14H2,1-3H3