methyl 2-[[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]-methyl-amino]-5-nitro-benzoate

Systemtic Name: methyl 2-[[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]-methyl-amino]-5-nitro-benzoate Openeye Name: methyl 2-[[2-(3-methoxypropylamino)-2-oxo-ethyl]-methyl-amino]-5-nitro-benzoate CAS Name: 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-5-nitrobenzoate Traditional Name: 2-[[2-keto-2-(3-methoxypropylamino)ethyl]-methyl-amino]-5-nitro-benzoic acid methyl ester Formula: C15H21N3O6 MolecularWeight: 339.34374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O6/c1-17(10-14(19)16-7-4-8-23-2)13-6-5-11(18(21)22)9-12(13)15(20)24-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,16,19)