propan-2-yl (E)-3-[3-(1-azido-2-methyl-octan-2-yl)oxy-5-chloranyl-4-nitro-phenyl]prop-2-enoate

Systemtic Name: propan-2-yl (E)-3-[3-(1-azido-2-methyl-octan-2-yl)oxy-5-chloranyl-4-nitro-phenyl]prop-2-enoate Openeye Name: isopropyl (E)-3-[3-[1-(azidomethyl)-1-methyl-heptoxy]-5-chloro-4-nitro-phenyl]prop-2-enoate CAS Name: (E)-3-[3-(1-azido-2-methyloctan-2-yl)oxy-5-chloro-4-nitrophenyl]-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-3-[3-(1-azido-2-methyloctan-2-yl)oxy-5-chloro-4-nitrophenyl]prop-2-enoate Traditional Name: (E)-3-[3-[1-(azidomethyl)-1-methyl-heptoxy]-5-chloro-4-nitro-phenyl]acrylic acid isopropyl ester Formula: C21H29ClN4O5 MolecularWeight: 452.93176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(CN=[N+]=[N-])OC1=C(C(=CC(=C1)C=CC(=O)OC(C)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C)(CN=[N+]=[N-])OC1=C(C(=CC(=C1)/C=C/C(=O)OC(C)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H29ClN4O5/c1-5-6-7-8-11-21(4,14-24-25-23)31-18-13-16(9-10-19(27)30-15(2)3)12-17(22)20(18)26(28)29/h9-10,12-13,15H,5-8,11,14H2,1-4H3/b10-9+