methyl N-[[(E)-1-[(6-chloranylpyridin-3-yl)methylamino]-2-nitro-ethenyl]amino]carbamate

Systemtic Name: methyl N-[[(E)-1-[(6-chloranylpyridin-3-yl)methylamino]-2-nitro-ethenyl]amino]carbamate Openeye Name: methyl N-[[(E)-1-[(6-chloro-3-pyridyl)methylamino]-2-nitro-vinyl]amino]carbamate CAS Name: N-[[(E)-1-[(6-chloro-3-pyridinyl)methylamino]-2-nitroethenyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[[(E)-1-[(6-chloropyridin-3-yl)methylamino]-2-nitroethenyl]amino]carbamate Traditional Name: N-[[(E)-1-[(6-chloro-3-pyridyl)methylamino]-2-nitro-vinyl]amino]carbamic acid methyl ester Formula: C10H12ClN5O4 MolecularWeight: 301.68638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NNC(=C[N+](=O)[O-])NCC1=CN=C(C=C1)Cl

Isomeric SMILES

COC(=O)NN/C(=C/[N+](=O)[O-])/NCC1=CN=C(C=C1)Cl

InChI

InChI=1S/C10H12ClN5O4/c1-20-10(17)15-14-9(6-16(18)19)13-5-7-2-3-8(11)12-4-7/h2-4,6,13-14H,5H2,1H3,(H,15,17)/b9-6+