1-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: 1-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: 1-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]acetyl]pyrrolidine-2-carbonitrile CAS Name: 1-[2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: 1-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: 1-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]acetyl]pyrrolidine-2-carbonitrile Formula: C14H18N6O3 MolecularWeight: 318.33112

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNCCNC2=NC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1CC(N(C1)C(=O)CNCCNC2=NC=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H18N6O3/c15-8-11-2-1-7-19(11)14(21)10-16-5-6-17-13-4-3-12(9-18-13)20(22)23/h3-4,9,11,16H,1-2,5-7,10H2,(H,17,18)