ethyl 4-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]butanoate

Systemtic Name: ethyl 4-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]butanoate Openeye Name: ethyl 4-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]butanoate CAS Name: 4-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]butanoate Traditional Name: 4-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]butyric acid ethyl ester Formula: C13H15ClN2O5 MolecularWeight: 314.7216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC=C1C=C(C=C(C1=O)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)CCCNC=C1C=C(C=C(C1=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H15ClN2O5/c1-2-21-12(17)4-3-5-15-8-9-6-10(14)7-11(13(9)18)16(19)20/h6-8,15H,2-5H2,1H3