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

Systemtic Name: methyl 2-[4-chloranylbutyl(ethoxycarbonyl)amino]-4-nitro-benzoate Openeye Name: methyl 2-[4-chlorobutyl(ethoxycarbonyl)amino]-4-nitro-benzoate CAS Name: 2-[4-chlorobutyl(ethoxycarbonyl)amino]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-chlorobutyl(ethoxycarbonyl)amino]-4-nitrobenzoate Traditional Name: 2-[carbethoxy(4-chlorobutyl)amino]-4-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(9-5-4-8-16)13-10-11(18(21)22)6-7-12(13)14(19)23-2/h6-7,10H,3-5,8-9H2,1-2H3