ethyl 6-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-2-phenyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-2-phenyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-2-phenyl-pyridine-3-carboxylate CAS Name: 6-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-2-phenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-2-phenylpyridine-3-carboxylate Traditional Name: 6-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-2-phenyl-nicotinic acid ethyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1)NCCNC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1)NCCNC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H21N5O4/c1-2-30-21(27)17-9-11-19(25-20(17)15-6-4-3-5-7-15)23-13-12-22-18-10-8-16(14-24-18)26(28)29/h3-11,14H,2,12-13H2,1H3,(H,22,24)(H,23,25)