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methyl 4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]butanoate

methyl 4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]butanoate

Systemtic Name:methyl 4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]butanoate
Openeye Name:methyl 4-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]butanoate
CAS Name:4-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]butanoic acid methyl ester
IUPAC Name:methyl 4-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]butanoate
Traditional Name:4-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]butyric acid methyl ester
Formula: C12H14N2O5
MolecularWeight: 266.24996
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC=C1C=C(C=CC1=O)[N+](=O)[O-]


Isomeric SMILES

COC(=O)CCCNC=C1C=C(C=CC1=O)[N+](=O)[O-]


InChI

InChI=1S/C12H14N2O5/c1-19-12(16)3-2-6-13-8-9-7-10(14(17)18)4-5-11(9)15/h4-5,7-8,13H,2-3,6H2,1H3


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