[[2,6-bis(chloranyl)phenyl]methyl-butanoyl-amino] 4-nitrobenzoate

Systemtic Name: [[2,6-bis(chloranyl)phenyl]methyl-butanoyl-amino] 4-nitrobenzoate Openeye Name: [butanoyl-[(2,6-dichlorophenyl)methyl]amino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2,6-dichlorophenyl)methyl-(1-oxobutyl)amino] ester IUPAC Name: [butanoyl-[(2,6-dichlorophenyl)methyl]amino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [butyryl-(2,6-dichlorobenzyl)amino] ester Formula: C18H16Cl2N2O5 MolecularWeight: 411.23604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CC1=C(C=CC=C1Cl)Cl)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N(CC1=C(C=CC=C1Cl)Cl)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H16Cl2N2O5/c1-2-4-17(23)21(11-14-15(19)5-3-6-16(14)20)27-18(24)12-7-9-13(10-8-12)22(25)26/h3,5-10H,2,4,11H2,1H3