diethyl 2-[[[(Z)-3-ethoxy-1-[(5-nitropyrimidin-2-yl)amino]-3-oxidanylidene-prop-1-en-2-yl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[[(Z)-3-ethoxy-1-[(5-nitropyrimidin-2-yl)amino]-3-oxidanylidene-prop-1-en-2-yl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[[(Z)-1-ethoxycarbonyl-2-[(5-nitropyrimidin-2-yl)amino]vinyl]amino]methylene]propanedioate CAS Name: 2-[[[(Z)-3-ethoxy-1-[(5-nitro-2-pyrimidinyl)amino]-3-oxoprop-1-en-2-yl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[[(Z)-3-ethoxy-1-[(5-nitropyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[(Z)-1-carbethoxy-2-[(5-nitropyrimidin-2-yl)amino]vinyl]amino]methylene]malonic acid diethyl ester Formula: C17H21N5O8 MolecularWeight: 423.37734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC(=CNC1=NC=C(C=N1)[N+](=O)[O-])C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CN/C(=C\NC1=NC=C(C=N1)[N+](=O)[O-])/C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C17H21N5O8/c1-4-28-14(23)12(15(24)29-5-2)9-18-13(16(25)30-6-3)10-21-17-19-7-11(8-20-17)22(26)27/h7-10,18H,4-6H2,1-3H3,(H,19,20,21)/b13-10-