ethyl (E)-3-[(6-chloranylpyridin-3-yl)-methyl-amino]-3-(methylamino)-2-nitro-prop-2-enoate

Systemtic Name: ethyl (E)-3-[(6-chloranylpyridin-3-yl)-methyl-amino]-3-(methylamino)-2-nitro-prop-2-enoate Openeye Name: ethyl (E)-3-[(6-chloro-3-pyridyl)-methyl-amino]-3-(methylamino)-2-nitro-prop-2-enoate CAS Name: (E)-3-[(6-chloro-3-pyridinyl)-methylamino]-3-(methylamino)-2-nitro-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(6-chloropyridin-3-yl)-methylamino]-3-(methylamino)-2-nitroprop-2-enoate Traditional Name: (E)-3-[(6-chloro-3-pyridyl)-methyl-amino]-3-(methylamino)-2-nitro-acrylic acid ethyl ester Formula: C12H15ClN4O4 MolecularWeight: 314.7249

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC)N(C)C1=CN=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C(=C(/NC)\N(C)C1=CN=C(C=C1)Cl)/[N+](=O)[O-]

InChI

InChI=1S/C12H15ClN4O4/c1-4-21-12(18)10(17(19)20)11(14-2)16(3)8-5-6-9(13)15-7-8/h5-7,14H,4H2,1-3H3/b11-10+