N-(2-methyl-3-nitro-phenyl)-3-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-3-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-3-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-3-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)propanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-3-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide Traditional Name: 3-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C22H16N4O7 MolecularWeight: 448.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O7/c1-12-17(6-3-7-18(12)26(32)33)23-19(27)8-9-24-21(28)15-5-2-4-13-10-14(25(30)31)11-16(20(13)15)22(24)29/h2-7,10-11H,8-9H2,1H3,(H,23,27)