methyl 2-[2-[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]oxyethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[2-[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]oxyethanoylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[2-[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]oxyacetyl]amino]-4-methyl-pentanoate CAS Name: 2-[[2-[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]oxyacetyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]oxyacetyl]amino]-4-methyl-valeric acid methyl ester Formula: C18H21ClN2O7 MolecularWeight: 412.82154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)COC(=O)C=CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)COC(=O)/C=C/C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H21ClN2O7/c1-11(2)8-14(18(24)27-3)20-16(22)10-28-17(23)7-5-12-4-6-13(19)15(9-12)21(25)26/h4-7,9,11,14H,8,10H2,1-3H3,(H,20,22)/b7-5+