N-(2-methoxyethyl)-4-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzamide

Systemtic Name: N-(2-methoxyethyl)-4-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzamide Openeye Name: N-(2-methoxyethyl)-4-(6-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzamide CAS Name: N-(2-methoxyethyl)-4-(6-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzamide IUPAC Name: N-(2-methoxyethyl)-4-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzamide Traditional Name: 4-(1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)-N-(2-methoxyethyl)benzamide Formula: C22H17N3O6 MolecularWeight: 419.38688

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O

Isomeric SMILES

COCCNC(=O)C1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O

InChI

InChI=1S/C22H17N3O6/c1-31-12-11-23-20(26)13-5-7-14(8-6-13)24-21(27)16-4-2-3-15-18(25(29)30)10-9-17(19(15)16)22(24)28/h2-10H,11-12H2,1H3,(H,23,26)