5-nitro-1-phenethyl-indole-2,3-dione

Systemtic Name: 5-nitro-1-phenethyl-indole-2,3-dione Openeye Name: 5-nitro-1-phenethyl-indoline-2,3-dione CAS Name: 5-nitro-1-phenethylindole-2,3-dione IUPAC Name: 5-nitro-1-phenethylindole-2,3-dione Traditional Name: 5-nitro-1-phenethyl-isatin Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O

InChI

InChI=1S/C16H12N2O4/c19-15-13-10-12(18(21)22)6-7-14(13)17(16(15)20)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2