ethyl 6-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-4-phenyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-4-phenyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-4-phenyl-pyridine-3-carboxylate CAS Name: 6-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-4-phenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-4-phenylpyridine-3-carboxylate Traditional Name: 6-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-4-phenyl-nicotinic acid ethyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1C2=CC=CC=C2)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1C2=CC=CC=C2)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

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