3-[(4-butan-2-yloxy-3-ethoxy-5-nitro-phenyl)methylideneamino]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[(4-butan-2-yloxy-3-ethoxy-5-nitro-phenyl)methylideneamino]-1H-quinazoline-2,4-dione Openeye Name: 3-[(3-ethoxy-5-nitro-4-sec-butoxy-phenyl)methyleneamino]-1H-quinazoline-2,4-dione CAS Name: 3-[(4-butan-2-yloxy-3-ethoxy-5-nitrophenyl)methylideneamino]-1H-quinazoline-2,4-dione IUPAC Name: 3-[(4-butan-2-yloxy-3-ethoxy-5-nitrophenyl)methylideneamino]-1H-quinazoline-2,4-dione Traditional Name: 3-[(3-ethoxy-5-nitro-4-sec-butoxy-benzylidene)amino]-1H-quinazoline-2,4-quinone Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1OCC)C=NN2C(=O)C3=CC=CC=C3NC2=O)[N+](=O)[O-]

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1OCC)C=NN2C(=O)C3=CC=CC=C3NC2=O)[N+](=O)[O-]

InChI

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