1-[2-[azanyl-(4-nitrophenyl)amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: 1-[2-[azanyl-(4-nitrophenyl)amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: 1-[2-(N-amino-4-nitro-anilino)acetyl]pyrrolidine-2-carbonitrile CAS Name: 1-[2-(N-amino-4-nitroanilino)-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: 1-[2-(N-amino-4-nitroanilino)acetyl]pyrrolidine-2-carbonitrile Traditional Name: 1-[2-(N-amino-4-nitro-anilino)acetyl]pyrrolidine-2-carbonitrile Formula: C13H15N5O3 MolecularWeight: 289.2899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])N)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C13H15N5O3/c14-8-12-2-1-7-16(12)13(19)9-17(15)10-3-5-11(6-4-10)18(20)21/h3-6,12H,1-2,7,9,15H2