ethyl 2-[4-[[[(E)-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamoyl]pyridin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[[[(E)-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamoyl]pyridin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[4-[[[(E)-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamoyl]pyridin-1-ium-1-yl]acetate CAS Name: 2-[4-[[[(E)-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]-oxomethyl]-1-pyridin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamoyl]pyridin-1-ium-1-yl]acetate Traditional Name: 2-[4-[[[(E)-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamoyl]pyridin-1-ium-1-yl]acetic acid ethyl ester Formula: C17H17BrN3O4+ MolecularWeight: 407.23858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=C(C=C1)C(=O)NNC=C2C=C(C=CC2=O)Br

Isomeric SMILES

CCOC(=O)C[N+]1=CC=C(C=C1)C(=O)NN/C=C/2\C=C(C=CC2=O)Br

InChI

InChI=1S/C17H16BrN3O4/c1-2-25-16(23)11-21-7-5-12(6-8-21)17(24)20-19-10-13-9-14(18)3-4-15(13)22/h3-10,24H,2,11H2,1H3/p+1/b13-10+