methyl 2-[3,5-bis(chloranyl)-4-[4-(2-methylpropanoylamino)-3-nitro-phenoxy]phenyl]ethanoate

Systemtic Name: methyl 2-[3,5-bis(chloranyl)-4-[4-(2-methylpropanoylamino)-3-nitro-phenoxy]phenyl]ethanoate Openeye Name: methyl 2-[3,5-dichloro-4-[4-(2-methylpropanoylamino)-3-nitro-phenoxy]phenyl]acetate CAS Name: 2-[3,5-dichloro-4-[4-[(2-methyl-1-oxopropyl)amino]-3-nitrophenoxy]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3,5-dichloro-4-[4-(2-methylpropanoylamino)-3-nitrophenoxy]phenyl]acetate Traditional Name: 2-[3,5-dichloro-4-[4-(isobutyrylamino)-3-nitro-phenoxy]phenyl]acetic acid methyl ester Formula: C19H18Cl2N2O6 MolecularWeight: 441.26202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C=C(C=C1)OC2=C(C=C(C=C2Cl)CC(=O)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=C(C=C(C=C1)OC2=C(C=C(C=C2Cl)CC(=O)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18Cl2N2O6/c1-10(2)19(25)22-15-5-4-12(9-16(15)23(26)27)29-18-13(20)6-11(7-14(18)21)8-17(24)28-3/h4-7,9-10H,8H2,1-3H3,(H,22,25)