2-[[1-[(3-cyanophenyl)methyl]-5-nitro-2-oxidanylidene-pyridin-3-yl]carbonylamino]ethyl nitrate

Systemtic Name: 2-[[1-[(3-cyanophenyl)methyl]-5-nitro-2-oxidanylidene-pyridin-3-yl]carbonylamino]ethyl nitrate Openeye Name: 2-[[1-[(3-cyanophenyl)methyl]-5-nitro-2-oxo-pyridine-3-carbonyl]amino]ethyl nitrate CAS Name: nitric acid 2-[[[1-[(3-cyanophenyl)methyl]-5-nitro-2-oxo-3-pyridinyl]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[1-[(3-cyanophenyl)methyl]-5-nitro-2-oxopyridine-3-carbonyl]amino]ethyl nitrate Traditional Name: nitric acid 2-[[1-(3-cyanobenzyl)-2-keto-5-nitro-nicotinoyl]amino]ethyl ester Formula: C16H13N5O7 MolecularWeight: 387.30372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=C(C=C(C2=O)C(=O)NCCO[N+](=O)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=C(C=C(C2=O)C(=O)NCCO[N+](=O)[O-])[N+](=O)[O-])C#N

InChI

InChI=1S/C16H13N5O7/c17-8-11-2-1-3-12(6-11)9-19-10-13(20(24)25)7-14(16(19)23)15(22)18-4-5-28-21(26)27/h1-3,6-7,10H,4-5,9H2,(H,18,22)