ethyl 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-5-nitro-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-5-nitro-1H-indole-2-carboxylate Openeye Name: ethyl 3-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-5-nitro-1H-indole-2-carboxylate CAS Name: 3-[2-(1,3-dioxo-2-isoindolyl)ethyl]-5-nitro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-5-nitro-1H-indole-2-carboxylate Traditional Name: 5-nitro-3-(2-phthalimidoethyl)-1H-indole-2-carboxylic acid ethyl ester Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H17N3O6/c1-2-30-21(27)18-13(16-11-12(24(28)29)7-8-17(16)22-18)9-10-23-19(25)14-5-3-4-6-15(14)20(23)26/h3-8,11,22H,2,9-10H2,1H3