methyl 2-[4-chloranylbutyl(ethoxycarbonyl)amino]-6-nitro-benzoate

Systemtic Name: methyl 2-[4-chloranylbutyl(ethoxycarbonyl)amino]-6-nitro-benzoate Openeye Name: methyl 2-[4-chlorobutyl(ethoxycarbonyl)amino]-6-nitro-benzoate CAS Name: 2-[4-chlorobutyl(ethoxycarbonyl)amino]-6-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-chlorobutyl(ethoxycarbonyl)amino]-6-nitrobenzoate Traditional Name: 2-[carbethoxy(4-chlorobutyl)amino]-6-nitro-benzoic acid methyl ester Formula: C15H19ClN2O6 MolecularWeight: 358.77416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(CCCCCl)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCOC(=O)N(CCCCCl)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H19ClN2O6/c1-3-24-15(20)17(10-5-4-9-16)11-7-6-8-12(18(21)22)13(11)14(19)23-2/h6-8H,3-5,9-10H2,1-2H3