N-(2-methoxyphenyl)-3-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CCN2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CCN2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O

InChI

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