methyl 2-[2-butoxyethanoyl(decyl)amino]-4-nitro-benzoate

Systemtic Name: methyl 2-[2-butoxyethanoyl(decyl)amino]-4-nitro-benzoate Openeye Name: methyl 2-[(2-butoxyacetyl)-decyl-amino]-4-nitro-benzoate CAS Name: 2-[(2-butoxy-1-oxoethyl)-decylamino]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(2-butoxyacetyl)-decylamino]-4-nitrobenzoate Traditional Name: 2-[(2-butoxyacetyl)-decyl-amino]-4-nitro-benzoic acid methyl ester Formula: C24H38N2O6 MolecularWeight: 450.56832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN(C1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OC)C(=O)COCCCC

Isomeric SMILES

CCCCCCCCCCN(C1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OC)C(=O)COCCCC

InChI

InChI=1S/C24H38N2O6/c1-4-6-8-9-10-11-12-13-16-25(23(27)19-32-17-7-5-2)22-18-20(26(29)30)14-15-21(22)24(28)31-3/h14-15,18H,4-13,16-17,19H2,1-3H3