methyl 4-azanyl-2-[(2,4-dinitrophenyl)diazenyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-azanyl-2-[(2,4-dinitrophenyl)diazenyl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-amino-2-(2,4-dinitrophenyl)azo-4-oxo-butanoate CAS Name: 4-amino-2-(2,4-dinitrophenyl)azo-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-amino-2-[(2,4-dinitrophenyl)diazenyl]-4-oxobutanoate Traditional Name: 4-amino-2-(2,4-dinitrophenyl)azo-4-keto-butyric acid methyl ester Formula: C11H11N5O7 MolecularWeight: 325.23434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)N)N=NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CC(=O)N)N=NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11N5O7/c1-23-11(18)8(5-10(12)17)14-13-7-3-2-6(15(19)20)4-9(7)16(21)22/h2-4,8H,5H2,1H3,(H2,12,17)