[2-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-[[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-[[2-(cyclopropylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C15H18N4O6 MolecularWeight: 350.32662

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

Isomeric SMILES

CN(CC(=O)NC1CC1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

InChI

InChI=1S/C15H18N4O6/c1-18(7-13(20)17-9-2-3-9)14(21)8-25-15(22)11-6-10(19(23)24)4-5-12(11)16/h4-6,9H,2-3,7-8,16H2,1H3,(H,17,20)