[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C16H19ClN2O5 MolecularWeight: 354.78546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O5/c1-3-4-11(2)18-15(20)10-24-16(21)8-6-12-5-7-13(17)14(9-12)19(22)23/h5-9,11H,3-4,10H2,1-2H3,(H,18,20)/b8-6+