methyl 2-[2-decoxyethanoyl(methyl)amino]-4-nitro-benzoate

Systemtic Name: methyl 2-[2-decoxyethanoyl(methyl)amino]-4-nitro-benzoate Openeye Name: methyl 2-[(2-decoxyacetyl)-methyl-amino]-4-nitro-benzoate CAS Name: 2-[(2-decoxy-1-oxoethyl)-methylamino]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(2-decoxyacetyl)-methylamino]-4-nitrobenzoate Traditional Name: 2-[(2-decoxyacetyl)-methyl-amino]-4-nitro-benzoic acid methyl ester Formula: C21H32N2O6 MolecularWeight: 408.48858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O6/c1-4-5-6-7-8-9-10-11-14-29-16-20(24)22(2)19-15-17(23(26)27)12-13-18(19)21(25)28-3/h12-13,15H,4-11,14,16H2,1-3H3