methyl 3-nitro-4-(3-oxidanylidenepiperazin-1-yl)benzoate

Systemtic Name: methyl 3-nitro-4-(3-oxidanylidenepiperazin-1-yl)benzoate Openeye Name: methyl 3-nitro-4-(3-oxopiperazin-1-yl)benzoate CAS Name: 3-nitro-4-(3-oxo-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-(3-oxopiperazin-1-yl)benzoate Traditional Name: 4-(3-ketopiperazino)-3-nitro-benzoic acid methyl ester Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCNC(=O)C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCNC(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5/c1-20-12(17)8-2-3-9(10(6-8)15(18)19)14-5-4-13-11(16)7-14/h2-3,6H,4-5,7H2,1H3,(H,13,16)