ethyl 2-[4-[[(4-chloranyl-2-nitro-phenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propanoate

Systemtic Name: ethyl 2-[4-[[(4-chloranyl-2-nitro-phenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propanoate Openeye Name: ethyl 2-[4-[[(4-chloro-2-nitro-phenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propanoate CAS Name: 2-[4-[[[(4-chloro-2-nitroanilino)-oxomethyl]-heptylamino]methyl]phenoxy]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[[(4-chloro-2-nitrophenyl)carbamoyl-heptylamino]methyl]phenoxy]-2-methylpropanoate Traditional Name: 2-[4-[[(4-chloro-2-nitro-phenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propionic acid ethyl ester Formula: C27H36ClN3O6 MolecularWeight: 534.04424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=C(C=C1)OC(C)(C)C(=O)OCC)C(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)OC(C)(C)C(=O)OCC)C(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H36ClN3O6/c1-5-7-8-9-10-17-30(26(33)29-23-16-13-21(28)18-24(23)31(34)35)19-20-11-14-22(15-12-20)37-27(3,4)25(32)36-6-2/h11-16,18H,5-10,17,19H2,1-4H3,(H,29,33)