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

Systemtic Name: 3-[(5-chloranyl-3-nitro-2-prop-2-ynoxy-phenyl)methylideneamino]-1H-quinazoline-2,4-dione Openeye Name: 3-[(5-chloro-3-nitro-2-prop-2-ynoxy-phenyl)methyleneamino]-1H-quinazoline-2,4-dione CAS Name: 3-[(5-chloro-3-nitro-2-prop-2-ynoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione IUPAC Name: 3-[(5-chloro-3-nitro-2-prop-2-ynoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione Traditional Name: 3-[(5-chloro-3-nitro-2-propargyloxy-benzylidene)amino]-1H-quinazoline-2,4-quinone Formula: C18H11ClN4O5 MolecularWeight: 398.75674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1C=NN2C(=O)C3=CC=CC=C3NC2=O)Cl)[N+](=O)[O-]

Isomeric SMILES

C#CCOC1=C(C=C(C=C1C=NN2C(=O)C3=CC=CC=C3NC2=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H11ClN4O5/c1-2-7-28-16-11(8-12(19)9-15(16)23(26)27)10-20-22-17(24)13-5-3-4-6-14(13)21-18(22)25/h1,3-6,8-10H,7H2,(H,21,25)