5-nitro-1-(2-pyrrolidin-1-ium-1-ylethyl)indole-2,3-dione

Systemtic Name: 5-nitro-1-(2-pyrrolidin-1-ium-1-ylethyl)indole-2,3-dione Openeye Name: 5-nitro-1-(2-pyrrolidin-1-ium-1-ylethyl)indoline-2,3-dione CAS Name: 5-nitro-1-[2-(1-pyrrolidin-1-iumyl)ethyl]indole-2,3-dione IUPAC Name: 5-nitro-1-(2-pyrrolidin-1-ium-1-ylethyl)indole-2,3-dione Traditional Name: 5-nitro-1-(2-pyrrolidin-1-ium-1-ylethyl)isatin Formula: C14H16N3O4+ MolecularWeight: 290.29454

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O

Isomeric SMILES

C1CC[NH+](C1)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O

InChI

InChI=1S/C14H15N3O4/c18-13-11-9-10(17(20)21)3-4-12(11)16(14(13)19)8-7-15-5-1-2-6-15/h3-4,9H,1-2,5-8H2/p+1