6-nitro-2-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-nitro-2-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione Openeye Name: 6-nitro-2-[(Z)-(2-prop-2-ynoxyphenyl)methyleneamino]benzo[de]isoquinoline-1,3-dione CAS Name: 6-nitro-2-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione IUPAC Name: 6-nitro-2-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione Traditional Name: 6-nitro-2-[(Z)-(2-propargyloxybenzylidene)amino]benzo[de]isoquinoline-1,3-quinone Formula: C22H13N3O5 MolecularWeight: 399.35572

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC=C1C=NN2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O

Isomeric SMILES

C#CCOC1=CC=CC=C1/C=N\N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O

InChI

InChI=1S/C22H13N3O5/c1-2-12-30-19-9-4-3-6-14(19)13-23-24-21(26)16-8-5-7-15-18(25(28)29)11-10-17(20(15)16)22(24)27/h1,3-11,13H,12H2/b23-13-