3-(3-ethoxy-4-methoxy-phenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanenitrile

Systemtic Name: 3-(3-ethoxy-4-methoxy-phenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanenitrile Openeye Name: 3-(3-ethoxy-4-methoxy-phenyl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanenitrile CAS Name: 3-(3-ethoxy-4-methoxyphenyl)-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanenitrile IUPAC Name: 3-(3-ethoxy-4-methoxyphenyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanenitrile Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propionitrile Formula: C20H17N3O6 MolecularWeight: 395.36548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC#N)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC#N)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H17N3O6/c1-3-29-17-11-12(7-8-16(17)28-2)14(9-10-21)22-19(24)13-5-4-6-15(23(26)27)18(13)20(22)25/h4-8,11,14H,3,9H2,1-2H3