2-[[2-ethyl-5-[(4-nitrophenyl)diazenyl]-6-(2-prop-2-enoyloxyethylamino)pyrimidin-4-yl]amino]ethyl prop-2-enoate

Systemtic Name: 2-[[2-ethyl-5-[(4-nitrophenyl)diazenyl]-6-(2-prop-2-enoyloxyethylamino)pyrimidin-4-yl]amino]ethyl prop-2-enoate Openeye Name: 2-[[2-ethyl-5-(4-nitrophenyl)azo-6-(2-prop-2-enoyloxyethylamino)pyrimidin-4-yl]amino]ethyl prop-2-enoate CAS Name: 2-propenoic acid 2-[[2-ethyl-5-(4-nitrophenyl)azo-6-[2-(1-oxoprop-2-enoxy)ethylamino]-4-pyrimidinyl]amino]ethyl ester IUPAC Name: 2-[[2-ethyl-5-[(4-nitrophenyl)diazenyl]-6-(2-prop-2-enoyloxyethylamino)pyrimidin-4-yl]amino]ethyl prop-2-enoate Traditional Name: acrylic acid 2-[[6-(2-acryloyloxyethylamino)-2-ethyl-5-(4-nitrophenyl)azo-pyrimidin-4-yl]amino]ethyl ester Formula: C22H25N7O6 MolecularWeight: 483.4772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)NCCOC(=O)C=C)N=NC2=CC=C(C=C2)[N+](=O)[O-])NCCOC(=O)C=C

Isomeric SMILES

CCC1=NC(=C(C(=N1)NCCOC(=O)C=C)N=NC2=CC=C(C=C2)[N+](=O)[O-])NCCOC(=O)C=C

InChI

InChI=1S/C22H25N7O6/c1-4-17-25-21(23-11-13-34-18(30)5-2)20(22(26-17)24-12-14-35-19(31)6-3)28-27-15-7-9-16(10-8-15)29(32)33/h5-10H,2-4,11-14H2,1H3,(H2,23,24,25,26)