methyl 3-azanyl-4-[[2-(4-nitrophenoxy)-2-oxidanylidene-ethyl]amino]-4-oxidanylidene-butanoate hydrobromide

Systemtic Name: methyl 3-azanyl-4-[[2-(4-nitrophenoxy)-2-oxidanylidene-ethyl]amino]-4-oxidanylidene-butanoate hydrobromide Openeye Name: methyl 3-amino-4-[[2-(4-nitrophenoxy)-2-oxo-ethyl]amino]-4-oxo-butanoate hydrobromide CAS Name: 3-amino-4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxobutanoic acid methyl ester hydrobromide IUPAC Name: methyl 3-amino-4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxobutanoate hydrobromide Traditional Name: 3-amino-4-keto-4-[[2-keto-2-(4-nitrophenoxy)ethyl]amino]butyric acid methyl ester hydrobromide Formula: C13H16BrN3O7 MolecularWeight: 406.18604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)NCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])N.Br

Isomeric SMILES

COC(=O)CC(C(=O)NCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])N.Br

InChI

InChI=1S/C13H15N3O7.BrH/c1-22-11(17)6-10(14)13(19)15-7-12(18)23-9-4-2-8(3-5-9)16(20)21;/h2-5,10H,6-7,14H2,1H3,(H,15,19);1H