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

Systemtic Name: 3-[(3-ethoxy-5-nitro-4-prop-2-ynoxy-phenyl)methylideneamino]-1H-quinazoline-2,4-dione Openeye Name: 3-[(3-ethoxy-5-nitro-4-prop-2-ynoxy-phenyl)methyleneamino]-1H-quinazoline-2,4-dione CAS Name: 3-[(3-ethoxy-5-nitro-4-prop-2-ynoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione IUPAC Name: 3-[(3-ethoxy-5-nitro-4-prop-2-ynoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione Traditional Name: 3-[(3-ethoxy-5-nitro-4-propargyloxy-benzylidene)amino]-1H-quinazoline-2,4-quinone Formula: C20H16N4O6 MolecularWeight: 408.36424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC#C)[N+](=O)[O-])C=NN2C(=O)C3=CC=CC=C3NC2=O

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC#C)[N+](=O)[O-])C=NN2C(=O)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C20H16N4O6/c1-3-9-30-18-16(24(27)28)10-13(11-17(18)29-4-2)12-21-23-19(25)14-7-5-6-8-15(14)22-20(23)26/h1,5-8,10-12H,4,9H2,2H3,(H,22,26)